try: from SimpleSession.versions.v37 import beginRestore,\ registerAfterModelsCB, reportRestoreError except ImportError: from chimera import UserError raise UserError('Cannot open session that was saved in a' ' newer version of Chimera; update your version') import chimera from chimera import replyobj replyobj.status('Beginning session restore...', \ blankAfter=0) beginRestore() def restoreCoreModels(): from SimpleSession.versions.v37 import init, restoreCamera, \ restoreMolecules, restoreColors, restoreSurfaces, \ restoreVRML, restorePseudoBondGroups molInfo = {'ballScale': (1, 0.25, {}), 'ribbonHidesMainchain': (1, True, {}), 'pointSize': (1, 1, {}), 'name': (1, '1AMN.pdb', {}), 'color': (1, 0, {}), 'optional': {'openedAs': (True, (1, ('/Users/bryanhanson/Desktop/1AMN.pdb', 'PDB', None, False), {}))}, 'pdbHeaders': [{'KEYWDS': ['KEYWDS HYDROLASE, SERINE ESTERASE, SYNAPSE, MEMBRANE, NERVE, ', 'KEYWDS 2 MUSCLE, SIGNAL, NEUROTRANSMITTER DEGRADATION, GLYCOPROTEIN, ', 'KEYWDS 3 GPI-ANCHOR, ALTERNATIVE SPLICING '], 'SEQRES': ['SEQRES 1 A 537 ASP ASP HIS SER GLU LEU LEU VAL ASN THR LYS SER GLY ', 'SEQRES 2 A 537 LYS VAL MET GLY THR ARG VAL PRO VAL LEU SER SER HIS ', 'SEQRES 3 A 537 ILE SER ALA PHE LEU GLY ILE PRO PHE ALA GLU PRO PRO ', 'SEQRES 4 A 537 VAL GLY ASN MET ARG PHE ARG ARG PRO GLU PRO LYS LYS ', 'SEQRES 5 A 537 PRO TRP SER GLY VAL TRP ASN ALA SER THR TYR PRO ASN ', 'SEQRES 6 A 537 ASN CYS GLN GLN TYR VAL ASP GLU GLN PHE PRO GLY PHE ', 'SEQRES 7 A 537 SER GLY SER GLU MET TRP ASN PRO ASN ARG GLU MET SER ', 'SEQRES 8 A 537 GLU ASP CYS LEU TYR LEU ASN ILE TRP VAL PRO SER PRO ', 'SEQRES 9 A 537 ARG PRO LYS SER THR THR VAL MET VAL TRP ILE TYR GLY ', 'SEQRES 10 A 537 GLY GLY PHE TYR SER GLY SER SER THR LEU ASP VAL TYR ', 'SEQRES 11 A 537 ASN GLY LYS TYR LEU ALA TYR THR GLU GLU VAL VAL LEU ', 'SEQRES 12 A 537 VAL SER LEU SER TYR ARG VAL GLY ALA PHE GLY PHE LEU ', 'SEQRES 13 A 537 ALA LEU HIS GLY SER GLN GLU ALA PRO GLY ASN VAL GLY ', 'SEQRES 14 A 537 LEU LEU ASP GLN ARG MET ALA LEU GLN TRP VAL HIS ASP ', 'SEQRES 15 A 537 ASN ILE GLN PHE PHE GLY GLY ASP PRO LYS THR VAL THR ', 'SEQRES 16 A 537 ILE PHE GLY GLU SER ALA GLY GLY ALA SER VAL GLY MET ', 'SEQRES 17 A 537 HIS ILE LEU SER PRO GLY SER ARG ASP LEU PHE ARG ARG ', 'SEQRES 18 A 537 ALA ILE LEU GLN SER GLY SER PRO ASN CYS PRO TRP ALA ', 'SEQRES 19 A 537 SER VAL SER VAL ALA GLU GLY ARG ARG ARG ALA VAL GLU ', 'SEQRES 20 A 537 LEU GLY ARG ASN LEU ASN CYS ASN LEU ASN SER ASP GLU ', 'SEQRES 21 A 537 GLU LEU ILE HIS CYS LEU ARG GLU LYS LYS PRO GLN GLU ', 'SEQRES 22 A 537 LEU ILE ASP VAL GLU TRP ASN VAL LEU PRO PHE ASP SER ', 'SEQRES 23 A 537 ILE PHE ARG PHE SER PHE VAL PRO VAL ILE ASP GLY GLU ', 'SEQRES 24 A 537 PHE PHE PRO THR SER LEU GLU SER MET LEU ASN SER GLY ', 'SEQRES 25 A 537 ASN PHE LYS LYS THR GLN ILE LEU LEU GLY VAL ASN LYS ', 'SEQRES 26 A 537 ASP GLU GLY SER PHE PHE LEU LEU TYR GLY ALA PRO GLY ', 'SEQRES 27 A 537 PHE SER LYS ASP SER GLU SER LYS ILE SER ARG GLU ASP ', 'SEQRES 28 A 537 PHE MET SER GLY VAL LYS LEU SER VAL PRO HIS ALA ASN ', 'SEQRES 29 A 537 ASP LEU GLY LEU ASP ALA VAL THR LEU GLN TYR THR ASP ', 'SEQRES 30 A 537 TRP MET ASP ASP ASN ASN GLY ILE LYS ASN ARG ASP GLY ', 'SEQRES 31 A 537 LEU ASP ASP ILE VAL GLY ASP HIS ASN VAL ILE CYS PRO ', 'SEQRES 32 A 537 LEU MET HIS PHE VAL ASN LYS TYR THR LYS PHE GLY ASN ', 'SEQRES 33 A 537 GLY THR TYR LEU TYR PHE PHE ASN HIS ARG ALA SER ASN ', 'SEQRES 34 A 537 LEU VAL TRP PRO GLU TRP MET GLY VAL ILE HIS GLY TYR ', 'SEQRES 35 A 537 GLU ILE GLU PHE VAL PHE GLY LEU PRO LEU VAL LYS GLU ', 'SEQRES 36 A 537 LEU ASN TYR THR ALA GLU GLU GLU ALA LEU SER ARG ARG ', 'SEQRES 37 A 537 ILE MET HIS TYR TRP ALA THR PHE ALA LYS THR GLY ASN ', 'SEQRES 38 A 537 PRO ASN GLU PRO HIS SER GLN GLU SER LYS TRP PRO LEU ', 'SEQRES 39 A 537 PHE THR THR LYS GLU GLN LYS PHE ILE ASP LEU ASN THR ', 'SEQRES 40 A 537 GLU PRO MET LYS VAL HIS GLN ARG LEU ARG VAL GLN MET ', 'SEQRES 41 A 537 CYS VAL PHE TRP ASN GLN PHE LEU PRO LYS LEU LEU ASN ', 'SEQRES 42 A 537 ALA THR ALA CYS '], 'DBREF': ['DBREF 1AMN A 1 537 UNP P04058 ACES_TORCA 22 558 '], 'TITLE': ['TITLE TRANSITION STATE ANALOG: ACETYLCHOLINESTERASE COMPLEXED ', 'TITLE 2 WITH M-(N,N,N-TRIMETHYLAMMONIO)TRIFLUOROACETOPHENONE '], 'ORIGX1': ['ORIGX1 1.000000 0.000000 0.000000 0.00000 '], 'FTNOTE': ['FTNOTE 1 CIS PROLINE - PRO 104 '], 'HELIX': ['HELIX 1 1 GLY A 41 MET A 43 5 3 ', 'HELIX 2 2 SER A 79 GLU A 82 1 4 ', 'HELIX 3 3 ASP A 128 TYR A 130 5 3 ', 'HELIX 4 4 LYS A 133 GLU A 139 1 7 ', 'HELIX 5 5 GLY A 151 PHE A 155 1 5 ', 'HELIX 6 6 VAL A 168 PHE A 187 1 20 ', 'HELIX 7 7 ALA A 201 LEU A 211 1 11 ', 'HELIX 8 8 ARG A 216 LEU A 218 5 3 ', 'HELIX 9 9 VAL A 238 LEU A 252 1 15 ', 'HELIX 10 10 ASP A 259 GLU A 268 1 10 ', 'HELIX 11 11 PRO A 271 ASP A 276 1 6 ', 'HELIX 12 12 GLU A 278 VAL A 281 5 4 ', 'HELIX 13 13 LEU A 305 ASN A 310 1 6 ', 'HELIX 14 14 SER A 329 GLY A 335 1 7 ', 'HELIX 15 15 ARG A 349 SER A 359 1 11 ', 'HELIX 16 16 ASP A 365 TYR A 375 1 11 ', 'HELIX 17 17 TRP A 378 ASP A 380 5 3 ', 'HELIX 18 18 GLY A 384 ASN A 399 1 16 ', 'HELIX 19 19 ILE A 401 THR A 412 1 12 ', 'HELIX 20 20 GLU A 434 MET A 436 5 3 ', 'HELIX 21 21 ILE A 444 VAL A 447 1 4 ', 'HELIX 22 22 LEU A 450 LEU A 452 5 3 ', 'HELIX 23 23 LYS A 454 LEU A 456 5 3 ', 'HELIX 24 24 ALA A 460 THR A 479 1 20 ', 'HELIX 25 25 VAL A 518 ASN A 525 1 8 ', 'HELIX 26 26 PHE A 527 LEU A 531 1 5 '], 'REMARK': ['REMARK 1 ', 'REMARK 1 REFERENCE 1 ', 'REMARK 1 AUTH J.L.SUSSMAN,M.HAREL,F.FROLOW,C.OEFNER,A.GOLDMAN, ', 'REMARK 1 AUTH 2 L.TOKER,I.SILMAN ', 'REMARK 1 TITL ATOMIC STRUCTURE OF ACETYLCHOLINESTERASE FROM ', 'REMARK 1 TITL 2 TORPEDO CALIFORNICA: A PROTOTYPIC ACETYLCHOLINE ', 'REMARK 1 TITL 3 BINDING ENZYME ', 'REMARK 1 REF SCIENCE V. 283 872 1991 ', 'REMARK 1 REFN ASTM SCIEAS US ISSN 0036-8075 ', 'REMARK 2 ', 'REMARK 2 RESOLUTION. 2.80 ANGSTROMS. ', 'REMARK 3 ', 'REMARK 3 REFINEMENT. ', 'REMARK 3 PROGRAM : X-PLOR ', 'REMARK 3 AUTHORS : BRUNGER ', 'REMARK 3 ', 'REMARK 3 DATA USED IN REFINEMENT. ', 'REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.80 ', 'REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 8.00 ', 'REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 ', 'REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL ', 'REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL ', 'REMARK 3 COMPLETENESS (WORKING+TEST) (%) : NULL ', 'REMARK 3 NUMBER OF REFLECTIONS : 24138 ', 'REMARK 3 ', 'REMARK 3 FIT TO DATA USED IN REFINEMENT. ', 'REMARK 3 CROSS-VALIDATION METHOD : NULL ', 'REMARK 3 FREE R VALUE TEST SET SELECTION : NULL ', 'REMARK 3 R VALUE (WORKING SET) : 0.188 ', 'REMARK 3 FREE R VALUE : 0.235 ', 'REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL ', 'REMARK 3 FREE R VALUE TEST SET COUNT : NULL ', 'REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL ', 'REMARK 3 ', 'REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. ', 'REMARK 3 TOTAL NUMBER OF BINS USED : NULL ', 'REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL ', 'REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL ', 'REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL ', 'REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL ', 'REMARK 3 BIN R VALUE (WORKING SET) : NULL ', 'REMARK 3 BIN FREE R VALUE : NULL ', 'REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL ', 'REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL ', 'REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL ', 'REMARK 3 ', 'REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. ', 'REMARK 3 PROTEIN ATOMS : 5036 ', 'REMARK 3 NUCLEIC ACID ATOMS : 0 ', 'REMARK 3 HETEROGEN ATOMS : 22 ', 'REMARK 3 SOLVENT ATOMS : 297 ', 'REMARK 3 ', 'REMARK 3 B VALUES. ', 'REMARK 3 FROM WILSON PLOT (A**2) : NULL ', 'REMARK 3 MEAN B VALUE (OVERALL, A**2) : 22.00 ', 'REMARK 3 OVERALL ANISOTROPIC B VALUE. ', 'REMARK 3 B11 (A**2) : NULL ', 'REMARK 3 B22 (A**2) : NULL ', 'REMARK 3 B33 (A**2) : NULL ', 'REMARK 3 B12 (A**2) : NULL ', 'REMARK 3 B13 (A**2) : NULL ', 'REMARK 3 B23 (A**2) : NULL ', 'REMARK 3 ', 'REMARK 3 ESTIMATED COORDINATE ERROR. ', 'REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL ', 'REMARK 3 ESD FROM SIGMAA (A) : NULL ', 'REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL ', 'REMARK 3 ', 'REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. ', 'REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL ', 'REMARK 3 ESD FROM C-V SIGMAA (A) : NULL ', 'REMARK 3 ', 'REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. ', 'REMARK 3 BOND LENGTHS (A) : 0.011 ', 'REMARK 3 BOND ANGLES (DEGREES) : 1.72 ', 'REMARK 3 DIHEDRAL ANGLES (DEGREES) : 24.11 ', 'REMARK 3 IMPROPER ANGLES (DEGREES) : NULL ', 'REMARK 3 ', 'REMARK 3 ISOTROPIC THERMAL MODEL : NULL ', 'REMARK 3 ', 'REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA ', 'REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL ', 'REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL ', 'REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL ', 'REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL ', 'REMARK 3 ', 'REMARK 3 NCS MODEL : NULL ', 'REMARK 3 ', 'REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT ', 'REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL ', 'REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL ', 'REMARK 3 ', 'REMARK 3 PARAMETER FILE 1 : NULL ', 'REMARK 3 TOPOLOGY FILE 1 : NULL ', 'REMARK 3 ', 'REMARK 3 OTHER REFINEMENT REMARKS: NULL ', 'REMARK 4 ', 'REMARK 4 1AMN COMPLIES WITH FORMAT V. 3.0, 1-DEC-2006 ', 'REMARK 4 ', 'REMARK 4 THIS IS THE REMEDIATED VERSION OF THIS PDB ENTRY. ', 'REMARK 4 REMEDIATED DATA FILE REVISION 3.100 (2007-03-16) ', 'REMARK 200 ', 'REMARK 200 EXPERIMENTAL DETAILS ', 'REMARK 200 EXPERIMENT TYPE : SINGLE-CRYSTAL X-RAY ', 'REMARK 200 DIFFRACTION ', 'REMARK 200 DATE OF DATA COLLECTION : 15-MAY-1993 ', 'REMARK 200 TEMPERATURE (KELVIN) : NULL ', 'REMARK 200 PH : NULL ', 'REMARK 200 NUMBER OF CRYSTALS USED : NULL ', 'REMARK 200 ', 'REMARK 200 SYNCHROTRON (Y/N) : N ', 'REMARK 200 RADIATION SOURCE : NULL ', 'REMARK 200 BEAMLINE : NULL ', 'REMARK 200 X-RAY GENERATOR MODEL : NULL ', 'REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M ', 'REMARK 200 WAVELENGTH OR RANGE (A) : NULL ', 'REMARK 200 MONOCHROMATOR : NULL ', 'REMARK 200 OPTICS : NULL ', 'REMARK 200 ', 'REMARK 200 DETECTOR TYPE : MULTIWIRE AREA DETECTOR ', 'REMARK 200 DETECTOR MANUFACTURER : XENTRONICS ', 'REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS ', 'REMARK 200 DATA SCALING SOFTWARE : NULL ', 'REMARK 200 ', 'REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 25272 ', 'REMARK 200 RESOLUTION RANGE HIGH (A) : NULL ', 'REMARK 200 RESOLUTION RANGE LOW (A) : NULL ', 'REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL ', 'REMARK 200 ', 'REMARK 200 OVERALL. ', 'REMARK 200 COMPLETENESS FOR RANGE (%) : 98.0 ', 'REMARK 200 DATA REDUNDANCY : 3.080 ', 'REMARK 200 R MERGE (I) : 0.11800 ', 'REMARK 200 R SYM (I) : NULL ', 'REMARK 200 FOR THE DATA SET : NULL ', 'REMARK 200 ', 'REMARK 200 IN THE HIGHEST RESOLUTION SHELL. ', 'REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL ', 'REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL ', 'REMARK 200 COMPLETENESS FOR SHELL (%) : NULL ', 'REMARK 200 DATA REDUNDANCY IN SHELL : NULL ', 'REMARK 200 R MERGE FOR SHELL (I) : NULL ', 'REMARK 200 R SYM FOR SHELL (I) : NULL ', 'REMARK 200 FOR SHELL : NULL ', 'REMARK 200 ', 'REMARK 200 DIFFRACTION PROTOCOL: NULL ', 'REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL ', 'REMARK 200 SOFTWARE USED: X-PLOR ', 'REMARK 200 STARTING MODEL: NULL ', 'REMARK 200 ', 'REMARK 200 REMARK: NULL ', 'REMARK 280 ', 'REMARK 280 CRYSTAL ', 'REMARK 280 SOLVENT CONTENT, VS (%): 70.79 ', 'REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 4.21 ', 'REMARK 280 ', 'REMARK 280 CRYSTALLIZATION CONDITIONS: NULL ', 'REMARK 290 ', 'REMARK 290 CRYSTALLOGRAPHIC SYMMETRY ', 'REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 31 2 1 ', 'REMARK 290 ', 'REMARK 290 SYMOP SYMMETRY ', 'REMARK 290 NNNMMM OPERATOR ', 'REMARK 290 1555 X,Y,Z ', 'REMARK 290 2555 -Y,X-Y,1/3+Z ', 'REMARK 290 3555 -X+Y,-X,2/3+Z ', 'REMARK 290 4555 Y,X,-Z ', 'REMARK 290 5555 X-Y,-Y,2/3-Z ', 'REMARK 290 6555 -X,-X+Y,1/3-Z ', 'REMARK 290 ', 'REMARK 290 WHERE NNN -> OPERATOR NUMBER ', 'REMARK 290 MMM -> TRANSLATION VECTOR ', 'REMARK 290 ', 'REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS ', 'REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM ', 'REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY ', 'REMARK 290 RELATED MOLECULES. ', 'REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 ', 'REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 ', 'REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 ', 'REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000 ', 'REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 ', 'REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 45.84333 ', 'REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 ', 'REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 ', 'REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 91.68667 ', 'REMARK 290 SMTRY1 4 -0.500000 0.866025 0.000000 0.00000 ', 'REMARK 290 SMTRY2 4 0.866025 0.500000 0.000000 0.00000 ', 'REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 ', 'REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 0.00000 ', 'REMARK 290 SMTRY2 5 0.000000 -1.000000 0.000000 0.00000 ', 'REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 91.68667 ', 'REMARK 290 SMTRY1 6 -0.500000 -0.866025 0.000000 0.00000 ', 'REMARK 290 SMTRY2 6 -0.866025 0.500000 0.000000 0.00000 ', 'REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 45.84333 ', 'REMARK 290 ', 'REMARK 290 REMARK: NULL ', 'REMARK 300 ', 'REMARK 300 BIOMOLECULE: 1 ', 'REMARK 300 THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT ', 'REMARK 300 WHICH CONSISTS OF 1 CHAIN(S). SEE REMARK 350 FOR ', 'REMARK 300 INFORMATION ON GENERATING THE BIOLOGICAL MOLECULE(S). ', 'REMARK 350 ', 'REMARK 350 GENERATING THE BIOMOLECULE ', 'REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN ', 'REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE ', 'REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS ', 'REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND ', 'REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. ', 'REMARK 350 ', 'REMARK 350 BIOMOLECULE: 1 ', 'REMARK 350 APPLY THE FOLLOWING TO CHAINS: A ', 'REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 ', 'REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 ', 'REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 ', 'REMARK 465 ', 'REMARK 465 MISSING RESIDUES ', 'REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE ', 'REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN ', 'REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) ', 'REMARK 465 ', 'REMARK 465 M RES C SSSEQI ', 'REMARK 465 ASP A 1 ', 'REMARK 465 ASP A 2 ', 'REMARK 465 HIS A 3 ', 'REMARK 465 PRO A 485 ', 'REMARK 465 HIS A 486 ', 'REMARK 465 SER A 487 ', 'REMARK 465 GLN A 488 ', 'REMARK 465 GLU A 489 ', 'REMARK 465 THR A 535 ', 'REMARK 465 ALA A 536 ', 'REMARK 465 CYS A 537 ', 'REMARK 470 ', 'REMARK 470 MISSING ATOM ', 'REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS(M=MODEL NUMBER; ', 'REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; ', 'REMARK 470 I=INSERTION CODE): ', 'REMARK 470 M RES CSSEQI ATOMS ', 'REMARK 470 ARG A 19 CZ NH1 NH2 ', 'REMARK 470 ASN A 42 CG OD1 ND2 ', 'REMARK 470 ARG A 46 CZ NH1 NH2 ', 'REMARK 470 SER A 55 OG ', 'REMARK 470 GLU A 89 CD OE1 OE2 ', 'REMARK 470 SER A 200 OG ', 'REMARK 470 ASN A 257 CG OD1 ND2 ', 'REMARK 470 GLU A 260 CD OE1 OE2 ', 'REMARK 470 GLU A 261 CD OE1 OE2 ', 'REMARK 470 GLU A 299 OE1 OE2 ', 'REMARK 470 GLU A 344 OE1 OE2 ', 'REMARK 470 GLU A 350 CD OE1 OE2 ', 'REMARK 470 ASP A 365 CG OD1 OD2 ', 'REMARK 470 LYS A 413 CE NZ ', 'REMARK 470 LYS A 498 CE NZ ', 'REMARK 470 GLU A 499 OE1 OE2 ', 'REMARK 470 GLU A 508 OE1 OE2 ', 'REMARK 470 ARG A 515 CZ NH1 NH2 ', 'REMARK 470 ASN A 533 CG OD1 ND2 ', 'REMARK 500 ', 'REMARK 500 GEOMETRY AND STEREOCHEMISTRY ', 'REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT ', 'REMARK 500 ', 'REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. ', 'REMARK 500 ', 'REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI ', "REMARK 500 CB SER A 200 O2' NAF 1 1.40 ", 'REMARK 500 ', 'REMARK 500 GEOMETRY AND STEREOCHEMISTRY ', 'REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS ', 'REMARK 500 ', 'REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES ', 'REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE ', 'REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN ', 'REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). ', 'REMARK 500 ', 'REMARK 500 STANDARD TABLE: ', 'REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),F6.3) ', 'REMARK 500 ', 'REMARK 500 EXPECTED VALUES: ENGH AND HUBER, 1991 ', 'REMARK 500 ', 'REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION ', 'REMARK 500 MET A 112 SD MET A 112 CE 0.090 ', 'REMARK 500 MET A 405 SD MET A 405 CE 0.068 ', 'REMARK 500 ', 'REMARK 500 GEOMETRY AND STEREOCHEMISTRY ', 'REMARK 500 SUBTOPIC: COVALENT BOND ANGLES ', 'REMARK 500 ', 'REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES ', 'REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE ', 'REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN ', 'REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). ', 'REMARK 500 ', 'REMARK 500 STANDARD TABLE: ', 'REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) ', 'REMARK 500 ', 'REMARK 500 EXPECTED VALUES: ENGH AND HUBER, 1991 ', 'REMARK 500 ', 'REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 ', 'REMARK 500 PHE A 30 N - CA - C ANGL. DEV. =-10.9 DEGREES ', 'REMARK 500 LEU A 127 N - CA - C ANGL. DEV. = 12.1 DEGREES ', 'REMARK 500 ALA A 157 N - CA - C ANGL. DEV. = 10.4 DEGREES ', 'REMARK 500 ASN A 183 N - CA - C ANGL. DEV. = 10.6 DEGREES ', 'REMARK 500 ASP A 285 N - CA - C ANGL. DEV. =-10.9 DEGREES ', 'REMARK 500 SER A 291 N - CA - C ANGL. DEV. = 10.9 DEGREES ', 'REMARK 500 LEU A 333 CA - CB - CG ANGL. DEV. = 12.4 DEGREES ', 'REMARK 500 LYS A 346 N - CA - C ANGL. DEV. =-10.5 DEGREES ', 'REMARK 500 GLY A 449 N - CA - C ANGL. DEV. = 11.6 DEGREES ', 'REMARK 500 ', 'REMARK 500 GEOMETRY AND STEREOCHEMISTRY ', 'REMARK 500 SUBTOPIC: TORSION ANGLES ', 'REMARK 500 ', 'REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: ', 'REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; ', 'REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). ', 'REMARK 500 ', 'REMARK 500 STANDARD TABLE: ', 'REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) ', 'REMARK 500 ', 'REMARK 500 M RES CSSEQI PSI PHI ', 'REMARK 500 SER A 200 -102.14 66.07 ', 'REMARK 500 LYS A 491 88.00 146.06 ', 'REMARK 525 ', 'REMARK 525 SOLVENT ', 'REMARK 525 THE FOLLOWING SOLVENT MOLECULES LIE FARTHER THAN EXPECTED ', 'REMARK 525 FROM THE PROTEIN OR NUCLEIC ACID MOLECULE AND MAY BE ', 'REMARK 525 ASSOCIATED WITH A SYMMETRY RELATED MOLECULE (M=MODEL ', 'REMARK 525 NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE ', 'REMARK 525 NUMBER; I=INSERTION CODE): ', 'REMARK 525 ', 'REMARK 525 M RES CSSEQI ', 'REMARK 525 HOH 693 DISTANCE = 5.08 ANGSTROMS '], 'SCALE1': ['SCALE1 0.008807 0.005085 0.000000 0.00000 '], 'SCALE2': ['SCALE2 0.000000 0.010170 0.000000 0.00000 '], 'AUTHOR': ['AUTHOR M.HAREL,I.SILMAN,J.L.SUSSMAN '], 'CRYST1': ['CRYST1 113.540 113.540 137.530 90.00 90.00 120.00 P 31 2 1 6 '], 'CISPEP': ['CISPEP 1 SER A 103 PRO A 104 0 0.82 '], 'ORIGX3': ['ORIGX3 0.000000 0.000000 1.000000 0.00000 '], 'ORIGX2': ['ORIGX2 0.000000 1.000000 0.000000 0.00000 '], 'SOURCE': ['SOURCE MOL_ID: 1; ', 'SOURCE 2 ORGANISM_SCIENTIFIC: TORPEDO CALIFORNICA; ', 'SOURCE 3 ORGANISM_COMMON: PACIFIC ELECTRIC RAY; ', 'SOURCE 4 ORGAN: ELECTRIC ORGAN '], 'FORMUL': ['FORMUL 2 SO4 O4 S 2- ', 'FORMUL 3 NAF C11 H15 F3 N O2 1+ ', 'FORMUL 4 HOH *99(H2 O) '], 'HETNAM': ['HETNAM SO4 SULFATE ION ', 'HETNAM NAF M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-TRIFLUORO-1,1- ', 'HETNAM 2 NAF DIHYDROXYETHYLBENZENE '], 'COMPND': ['COMPND MOL_ID: 1; ', 'COMPND 2 MOLECULE: ACETYLCHOLINESTERASE; ', 'COMPND 3 CHAIN: A; ', 'COMPND 4 EC: 3.1.1.7 '], 'REVDAT': ['REVDAT 1 03-APR-96 1AMN 0 '], 'SSBOND': ['SSBOND 1 CYS A 67 CYS A 94 ', 'SSBOND 2 CYS A 254 CYS A 265 ', 'SSBOND 3 CYS A 402 CYS A 521 '], 'HET': ['HET SO4 593 5 ', 'HET NAF 1 17 '], 'SHEET': ['SHEET 1 A 2 LEU A 7 THR A 10 0 ', 'SHEET 2 A 2 GLY A 13 MET A 16 -1 N VAL A 15 O VAL A 8 ', 'SHEET 1 B11 THR A 18 VAL A 22 0 ', 'SHEET 2 B11 SER A 25 PRO A 34 -1 N ALA A 29 O THR A 18 ', 'SHEET 3 B11 TYR A 96 VAL A 101 -1 N VAL A 101 O SER A 28 ', 'SHEET 4 B11 VAL A 142 SER A 145 -1 N SER A 145 O ASN A 98 ', 'SHEET 5 B11 VAL A 111 ILE A 115 1 N MET A 112 O VAL A 142 ', 'SHEET 6 B11 VAL A 194 GLU A 199 1 N THR A 195 O VAL A 111 ', 'SHEET 7 B11 ARG A 221 GLN A 225 1 N ARG A 221 O ILE A 196 ', 'SHEET 8 B11 ILE A 319 ASN A 324 1 N LEU A 320 O ALA A 222 ', 'SHEET 9 B11 THR A 418 PHE A 423 1 N TYR A 419 O ILE A 319 ', 'SHEET 10 B11 LYS A 501 LEU A 505 1 N ILE A 503 O PHE A 422 ', 'SHEET 11 B11 VAL A 512 GLN A 514 -1 N HIS A 513 O PHE A 502 ', 'SHEET 1 C 2 SER A 235 SER A 237 0 ', 'SHEET 2 C 2 PRO A 294 ILE A 296 1 N PRO A 294 O VAL A 236 '], 'HEADER': ['HEADER HYDROLASE (SERINE ESTERASE) 13-FEB-96 1AMN '], 'EXPDTA': ['EXPDTA SINGLE-CRYSTAL X-RAY DIFFRACTION '], 'SCALE3': ['SCALE3 0.000000 0.000000 0.007271 0.00000 '], 'JRNL': ['JRNL AUTH M.HAREL,D.M.QUINN,H.K.NAIR,I.SILMAN,J.L.SUSSMAN ', 'JRNL TITL THE X-RAY STRUCTURE OF A TRANSITION STATE ANALOG ', 'JRNL TITL 2 COMPLEX REVEALS THE MOLECULAR ORIGINS OF THE ', 'JRNL TITL 3 CATALYTIC POWER AND SUBSTRATE SPECIFICITY OF ', 'JRNL TITL 4 ACETYLCHOLINESTERASE. ', 'JRNL REF J.AM.CHEM.SOC. V. 118 2340 1996 ', 'JRNL REFN ASTM JACSAT US ISSN 0002-7863 ']}], 'ids': (1, (0, 0), {}), 'surfaceOpacity': (1, -1, {}), 'autochain': (1, True, {}), 'vdwDensity': (1, 5, {}), 'hidden': (1, False, {}), 'lineWidth': (1, 1, {}), 'stickScale': (1, 1, {}), 'display': (1, True, {})} resInfo = {'insert': (627, ' ', {}), 'name': (627, 'HOH', {'ILE': [23, 29, 95, 111, 180, 192, 206, 219, 259, 271, 283, 292, 315, 343, 381, 390, 397, 435, 440, 465, 494], 'NAF': [527], 'GLN': [64, 65, 70, 158, 169, 174, 181, 221, 268, 314, 370, 491, 505, 510, 517], 'GLY': [9, 13, 28, 37, 52, 73, 76, 113, 114, 115, 119, 128, 147, 150, 156, 162, 165, 184, 185, 194, 198, 199, 203, 210, 223, 237, 245, 294, 308, 318, 324, 331, 334, 351, 363, 380, 386, 392, 411, 413, 433, 437, 445, 476], 'GLU': [1, 33, 45, 69, 78, 85, 88, 135, 136, 159, 195, 236, 243, 256, 257, 264, 269, 274, 295, 302, 323, 340, 346, 430, 439, 441, 451, 457, 458, 459, 480, 490, 499], 'CYS': [63, 90, 227, 250, 261, 398, 512], 'HIS': [22, 155, 177, 205, 260, 358, 394, 402, 421, 436, 467, 504], 'SER': [0, 8, 20, 21, 24, 51, 57, 75, 77, 87, 99, 104, 118, 120, 121, 141, 143, 157, 196, 201, 208, 211, 222, 224, 231, 233, 254, 282, 287, 300, 303, 307, 325, 336, 339, 341, 344, 350, 355, 424, 462, 481], 'LYS': [7, 10, 47, 48, 103, 129, 188, 265, 266, 311, 312, 321, 337, 342, 353, 382, 406, 409, 450, 474, 482, 489, 492, 502, 521], 'PRO': [17, 30, 34, 35, 44, 46, 49, 60, 72, 82, 98, 100, 102, 161, 187, 209, 225, 228, 267, 279, 290, 298, 333, 357, 399, 429, 447, 478, 484, 500, 520], 'ASN': [5, 38, 55, 61, 62, 81, 83, 94, 127, 163, 179, 226, 247, 249, 251, 253, 276, 306, 309, 320, 360, 378, 379, 383, 395, 405, 412, 420, 425, 453, 477, 479, 497, 516, 524], 'VAL': [4, 11, 16, 18, 36, 53, 67, 97, 107, 109, 125, 137, 138, 140, 146, 164, 176, 190, 202, 232, 234, 242, 273, 277, 289, 291, 319, 352, 356, 367, 391, 396, 404, 427, 434, 443, 449, 503, 509, 513], 'THR': [6, 14, 58, 105, 106, 122, 134, 189, 191, 299, 313, 368, 372, 408, 414, 455, 471, 475, 487, 488, 498], 'ASP': [68, 89, 124, 168, 178, 186, 213, 255, 272, 281, 293, 322, 338, 347, 361, 365, 373, 376, 377, 385, 388, 389, 393, 495], 'SO4': [526], 'TRP': [50, 54, 80, 96, 110, 175, 229, 275, 374, 428, 431, 469, 483, 515], 'PHE': [26, 31, 41, 71, 74, 116, 149, 151, 182, 183, 193, 215, 280, 284, 286, 288, 296, 297, 310, 326, 327, 335, 348, 403, 410, 418, 419, 442, 444, 472, 486, 493, 514, 518], 'ALA': [25, 32, 56, 132, 148, 153, 160, 172, 197, 200, 218, 230, 235, 241, 332, 359, 366, 423, 456, 460, 470, 473, 525], 'MET': [12, 39, 79, 86, 108, 171, 204, 304, 349, 375, 401, 432, 466, 501, 511], 'LEU': [2, 3, 19, 27, 91, 93, 123, 131, 139, 142, 152, 154, 166, 167, 173, 207, 214, 220, 244, 248, 252, 258, 262, 270, 278, 301, 305, 316, 317, 328, 329, 354, 362, 364, 369, 387, 400, 416, 426, 446, 448, 452, 461, 485, 496, 507, 519, 522, 523], 'ARG': [15, 40, 42, 43, 84, 101, 145, 170, 212, 216, 217, 238, 239, 240, 246, 263, 285, 345, 384, 422, 463, 464, 506, 508], 'TYR': [59, 66, 92, 112, 117, 126, 130, 133, 144, 330, 371, 407, 415, 417, 438, 454, 468]}), 'chain': (627, 'A', {'het': (None, [(526, 2)]), 'water': (None, [(528, 99)])}), 'ss': (627, (False, False, False), {(True, False, False): (None, [(37, 3), (75, 4), (124, 3), (129, 7), (147, 5), (164, 20), (197, 11), (212, 3), (234, 15), (255, 10), (267, 6), (274, 4), (301, 6), (325, 7), (345, 11), (361, 11), (374, 3), (380, 16), (397, 12), (430, 3), (440, 4), (446, 3), (450, 3), (456, 20), (509, 8), (518, 5)]), (False, True, False): (None, [(3, 4), (9, 4), (14, 5), (21, 10), (92, 6), (107, 5), (138, 4), (190, 6), (217, 5), (231, 3), (290, 3), (315, 6), (414, 6), (492, 5), (503, 3)])}), 'molecule': (627, 0, {}), 'ribbonColor': (627, None, {1: (None, [(0, 1)]), 2: (None, [(1, 1)]), 3: (None, [(2, 1)]), 4: (None, [(3, 1)]), 5: (None, [(4, 1)]), 6: (None, [(5, 1)]), 7: (None, [(6, 1)]), 8: (None, [(7, 1)]), 9: (None, [(8, 1)]), 10: (None, [(9, 1)]), 11: (None, [(10, 1)]), 12: (None, [(11, 1)]), 13: (None, [(12, 1)]), 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((0.8, 0, 0.34902), 1, 'default'), 'Ra': ((0, 0.490196, 0), 1, 'default'), 'Rb': ((0.439216, 0.180392, 0.690196), 1, 'default'), 'Rn': ((0.258824, 0.509804, 0.588235), 1, 'default'), 'Rh': ((0.0392157, 0.490196, 0.54902), 1, 'default'), 'Be': ((0.760784, 1, 0), 1, 'default'), 'Ba': ((0, 0.788235, 0), 1, 'default'), 'Bh': ((0.878431, 0, 0.219608), 1, 'default'), 'Bi': ((0.619608, 0.309804, 0.709804), 1, 'default'), 'Bk': ((0.541176, 0.309804, 0.890196), 1, 'default'), 'Br': ((0.65098, 0.160784, 0.160784), 1, 'default'), '_openColor00': ((1, 1, 1), 1, 'default'), '_openColor01': ((1, 0, 1), 1, 'default'), '_openColor02': ((0, 1, 1), 1, 'default'), '_openColor03': ((1, 1, 0), 1, 'default'), '_openColor04': ((1, 0, 0), 1, 'default'), '_openColor05': ((0, 0, 1), 1, 'default'), '_openColor06': ((0.67, 1, 0), 1, 'default'), '_openColor07': ((0.67, 0, 1), 1, 'default'), '_openColor08': ((0.67, 1, 1), 1, 'default'), 'H': ((1, 1, 1), 1, 'default'), 'P': ((1, 0.501961, 0), 1, 'default'), 'Os': ((0.14902, 0.4, 0.588235), 1, 'default'), 'orange red': ((1, 0.270588, 0), 1, 'default'), 'Ge': ((0.4, 0.560784, 0.560784), 1, 'default'), 'Gd': ((0.270588, 1, 0.780392), 1, 'default'), 'Ga': ((0.760784, 0.560784, 0.560784), 1, 'default'), 'Pr': ((0.85098, 1, 0.780392), 1, 'default'), '_openColor12': ((1, 1, 0.5), 1, 'default'), '_openColor11': ((1, 0.67, 1), 1, 'default'), '_openColor10': ((0, 0.67, 1), 1, 'default'), 'Pt': ((0.815686, 0.815686, 0.878431), 1, 'default'), 'Pu': ((0, 0.419608, 1), 1, 'default'), 'C': ((0.564706, 0.564706, 0.564706), 1, 'default'), 'Pb': ((0.341176, 0.34902, 0.380392), 1, 'default'), 'Pa': ((0, 0.631373, 1), 1, 'default'), 'Pd': ((0, 0.411765, 0.521569), 1, 'default'), 'Xe': ((0.258824, 0.619608, 0.690196), 1, 'default'), 'Po': ((0.670588, 0.360784, 0), 1, 'default'), 'Pm': ((0.639216, 1, 0.780392), 1, 'default'), 'Hs': ((0.901961, 0, 0.180392), 1, 'default'), 'Ho': ((0, 1, 0.611765), 1, 'default'), 'Hf': ((0.301961, 0.760784, 1), 1, 'default'), 'Hg': ((0.721569, 0.721569, 0.815686), 1, 'default'), 'He': ((0.85098, 1, 1), 1, 'default'), 'Md': ((0.701961, 0.0509804, 0.65098), 1, 'default'), 'Mg': ((0.541176, 1, 0), 1, 'default'), 'K': ((0.560784, 0.25098, 0.831373), 1, 'default'), 'Mn': ((0.611765, 0.478431, 0.780392), 1, 'default'), 'O': ((1, 0.0509804, 0.0509804), 1, 'default'), 'Mt': ((0.921569, 0, 0.14902), 1, 'default'), 'S': ((1, 1, 0.188235), 1, 'default'), 'W': ((0.129412, 0.580392, 0.839216), 1, 'default'), 'Zn': ((0.490196, 0.501961, 0.690196), 1, 'default'), 'Eu': ((0.380392, 1, 0.780392), 1, 'default'), 'Zr': ((0.580392, 0.878431, 0.878431), 1, 'default'), 'Er': ((0, 0.901961, 0.458824), 1, 'default'), '_openColor13': ((1, 0, 0.5), 1, 'default'), 'No': ((0.741176, 0.0509804, 0.529412), 1, 'default'), 'Na': ((0.670588, 0.360784, 0.94902), 1, 'default'), 'Nb': ((0.45098, 0.760784, 0.788235), 1, 'default'), 'Nd': ((0.780392, 1, 0.780392), 1, 'default'), 'Ne': ((0.701961, 0.890196, 0.960784), 1, 'default'), 'dodger blue': ((0.117647, 0.564706, 1), 1, 'default'), 'Np': ((0, 0.501961, 1), 1, 'default'), 'Fr': ((0.258824, 0, 0.4), 1, 'default'), '_openColor15': ((0.67, 0.67, 1), 1, 'default'), '_openColor14': ((0, 1, 0.5), 1, 'default'), 'Fe': ((0.878431, 0.4, 0.2), 1, 'default'), 'Fm': ((0.701961, 0.121569, 0.729412), 1, 'default'), 'B': ((1, 0.709804, 0.709804), 1, 'default'), 'F': ((0.564706, 0.878431, 0.313725), 1, 'default'), 'Sr': ((0, 1, 0), 1, 'default'), 'N': ((0.188235, 0.313725, 0.972549), 1, 'default'), 'Kr': ((0.360784, 0.721569, 0.819608), 1, 'default'), 'Si': ((0.941176, 0.784314, 0.627451), 1, 'default'), 'Sn': ((0.4, 0.501961, 0.501961), 1, 'default'), 'Sm': ((0.560784, 1, 0.780392), 1, 'default'), 'V': ((0.65098, 0.65098, 0.670588), 1, 'default'), 'Sc': ((0.901961, 0.901961, 0.901961), 1, 'default'), 'Sb': ((0.619608, 0.388235, 0.709804), 1, 'default'), 'Sg': ((0.85098, 0, 0.270588), 1, 'default'), 'Se': ((1, 0.631373, 0), 1, 'default'), 'Co': ((0.941176, 0.564706, 0.627451), 1, 'default'), 'Cm': ((0.470588, 0.360784, 0.890196), 1, 'default'), 'Cl': ((0.121569, 0.941176, 0.121569), 1, 'default'), 'Ca': ((0.239216, 1, 0), 1, 'default'), 'Cf': ((0.631373, 0.211765, 0.831373), 1, 'default'), 'Ce': ((1, 1, 0.780392), 1, 'default'), 'Cd': ((1, 0.85098, 0.560784), 1, 'default'), 'Tm': ((0, 0.831373, 0.321569), 1, 'default'), 'Cs': ((0.341176, 0.0901961, 0.560784), 1, 'default'), 'Cr': ((0.541176, 0.6, 0.780392), 1, 'default'), 'Cu': ((0.784314, 0.501961, 0.2), 1, 'default'), 'La': ((0.439216, 0.831373, 1), 1, 'default'), 'Li': ((0.8, 0.501961, 1), 1, 'default'), 'Tl': ((0.65098, 0.329412, 0.301961), 1, 'default'), 'Lu': ((0, 0.670588, 0.141176), 1, 'default'), 'Lr': ((0.780392, 0, 0.4), 1, 'default'), 'Th': ((0, 0.729412, 1), 1, 'default'), 'Ti': ((0.74902, 0.760784, 0.780392), 1, 'default'), 'Te': ((0.831373, 0.478431, 0), 1, 'default'), 'Tb': ((0.188235, 1, 0.780392), 1, 'default'), 'Tc': ((0.231373, 0.619608, 0.619608), 1, 'default'), 'Ta': ((0.301961, 0.65098, 1), 1, 'default'), 'Yb': ((0, 0.74902, 0.219608), 1, 'default'), 'Db': ((0.819608, 0, 0.309804), 1, 'default'), 'Dy': ((0.121569, 1, 0.780392), 1, 'default'), '_openColor09': ((1, 0.67, 0), 1, 'default'), 'At': ((0.458824, 0.309804, 0.270588), 1, 'default'), 'I': ((0.580392, 0, 0.580392), 1, 'default'), 'medium purple': ((0.576471, 0.439216, 0.858824), 1, 'default'), 'U': ((0, 0.560784, 1), 1, 'default'), 'Y': ((0.580392, 1, 1), 1, 'default'), 'Ac': ((0.439216, 0.670588, 0.980392), 1, 'default'), 'Ag': ((0.752941, 0.752941, 0.752941), 1, 'default'), 'Ir': ((0.0901961, 0.329412, 0.529412), 1, 'default'), 'Am': ((0.329412, 0.360784, 0.94902), 1, 'default'), 'Al': ((0.74902, 0.65098, 0.65098), 1, 'default'), 'As': ((0.741176, 0.501961, 0.890196), 1, 'default'), 'Ar': ((0.501961, 0.819608, 0.890196), 1, 'default'), 'Au': ((1, 0.819608, 0.137255), 1, 'default'), 'Es': ((0.701961, 0.121569, 0.831373), 1, 'default'), 'In': ((0.65098, 0.458824, 0.45098), 1, 'default'), 'Mo': ((0.329412, 0.709804, 0.709804), 1, 'default')} materials = {'default': ((1, 1, 1), 30)} pbInfo = {'category': ['missing segments', 'distance monitor'], 'bondInfo': [{'color': (1, None, {}), 'atoms': [[3593, 3592]], 'label': (1, '', {}), 'halfbond': (1, True, {}), 'labelColor': (1, None, {}), 'drawMode': (1, 0, {}), 'display': (1, 2, {})}, {'color': (0, None, {}), 'atoms': [], 'label': (0, None, {}), 'halfbond': (0, None, {}), 'labelColor': (0, None, {}), 'drawMode': (0, None, {}), 'display': (0, None, {})}], 'lineType': (2, 2, {}), 'color': (2, 532, {533: [1]}), 'showStubBonds': (2, False, {}), 'lineWidth': (2, 1, {}), 'stickScale': (2, 1, {}), 'id': [-1, -2]} colorInfo = {0: ('_openColor00', (1, 1, 1, 1)), 1: ('blue', (0, 0, 1, 1)), 2: ('', (0, 0.00761905, 1, 1)), 3: ('', (0, 0.0152381, 1, 1)), 4: ('', (0, 0.0228571, 1, 1)), 5: ('', (0, 0.0304762, 1, 1)), 6: ('', (0, 0.0380952, 1, 1)), 7: ('', (0, 0.0457143, 1, 1)), 8: ('', (0, 0.0533333, 1, 1)), 9: ('', (0, 0.0609524, 1, 1)), 10: ('', (0, 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0, 1)), 516: ('', (1, 0.0761905, 0, 1)), 517: ('', (1, 0.0685714, 0, 1)), 518: ('', (1, 0.0609524, 0, 1)), 519: ('', (1, 0.0533333, 0, 1)), 520: ('', (1, 0.0457143, 0, 1)), 521: ('', (1, 0.0380952, 0, 1)), 522: ('', (1, 0.0304762, 0, 1)), 523: ('', (1, 0.0228571, 0, 1)), 524: ('', (1, 0.0152381, 0, 1)), 525: ('', (1, 0.00761905, 0, 1)), 526: ('red', (1, 0, 0, 1)), 527: ('N', (0.188235, 0.313725, 0.972549, 1)), 528: ('O', (1, 0.0509804, 0.0509804, 1)), 529: ('H', (1, 1, 1, 1)), 530: ('S', (1, 1, 0.188235, 1)), 531: ('F', (0.564706, 0.878431, 0.313725, 1)), 532: ('gray', (0.745, 0.745, 0.745, 1)), 533: ('yellow', (1, 1, 0, 1)), 534: ('black', (0, 0, 0, 1)), 535: ('green', (0, 1, 0, 1))} detail = 1 viewerFog = None viewerBG = 534 viewerHL = 535 viewerLB = 535 viewerAttrs = {'silhouetteColor': None, 'yonIntensity': 0.1, 'showSilhouette': False, 'startRatio': 0.5, 'viewSize': 42.1868, 'scaleFactor': 0.85912, 'silhouetteWidth': 1, 'depthCue': True, 'highlight': 0, 'lensBorder': True} cameraAttrs = {'center': (4.998, 65.2185, 57.507), 'fieldOfView': 32.7037, 'nearFar': (99.6938, 15.3202), 'ortho': False, 'eyeSeparation': 50.8, 'focal': 57.507} cameraMode = 'mono' replyobj.status("Initializing session restore...", blankAfter=0) init(colorInfo) replyobj.status("Restoring colors...", blankAfter=0) restoreColors(colors, materials) replyobj.status("Restoring molecules...", blankAfter=0) restoreMolecules(molInfo, resInfo, atomInfo, bondInfo, crdInfo) replyobj.status("Restoring surfaces...", blankAfter=0) restoreSurfaces(surfInfo) replyobj.status("Restoring VRML models...", blankAfter=0) restoreVRML(vrmlInfo) replyobj.status("Restoring pseudobond groups...", blankAfter=0) restorePseudoBondGroups(pbInfo) replyobj.status("Restoring camera...", blankAfter=0) restoreCamera(detail, viewerFog, viewerBG, viewerHL, viewerLB, viewerAttrs, cameraAttrs, cameraMode) replyobj.status("Restoring other models...", blankAfter=0) try: restoreCoreModels() except: reportRestoreError("Error restoring core models") replyobj.status("Restoring extension info...", blankAfter=0) ctMap = { 11348 : None , } try: newMap = {} from SimpleSession import idLookup for k, v in ctMap.items(): if v: value = [idLookup(a) for a in v] else: value = v newMap[idLookup(k)] = value # avoid having the group missing its 'chainTraceMapping' attribute # for any period of time... from chimera import PseudoBondMgr ctGroup = PseudoBondMgr.mgr().findPseudoBondGroup('missing segments') if hasattr(ctGroup, "chainTraceMapping"): needHandlers = False else: needHandlers = True ctGroup.chainTraceMapping = {} ctGroup.display = True # chain-trace pseudobonds only exists after a redraw... def restoreLBCTmap(trigName, info, trigArgs): ctGroup, ctMap, needHandlers = info try: from chimera import triggers, _longBondTraceCB, _chainTraceSessionCB from SimpleSession import SAVE_SESSION if needHandlers: ctGroup.chainTraceMapping = ctm = {} triggers.addHandler("Atom", _longBondTraceCB, ctGroup) triggers.addHandler(SAVE_SESSION, _chainTraceSessionCB, ctGroup) for lbpb, v in ctMap.items(): if v: a1, a2 = v pbs1 = set(a1.pseudoBonds) pbs2 = set(a2.pseudoBonds) for pb in (pbs1 & pbs2): if pb.category.startswith( "internal-chain-"): value = pb break else: value = None else: value = v ctm[lbpb] = value finally: from chimera.triggerSet import ONESHOT return ONESHOT import chimera chimera.triggers.addHandler("post-frame", restoreLBCTmap, (ctGroup, newMap, needHandlers)) except: reportRestoreError('Error restoring chain-trace pseudobond group') def restore_surface_zones(): surface_zone_state = \ { 'class': 'Surface_Zone_State', 'version': 1, 'zone_table': {}, } try: import SurfaceZone.session SurfaceZone.session.restore_surface_zone_state(surface_zone_state) except: reportRestoreError('Error restoring surface zones') registerAfterModelsCB(restore_surface_zones) def restore_volume_data(): volume_data_state = \ { 'class': 'Volume_Manager_State', 'data_and_regions_state': [ ], 'version': 2, } from VolumeViewer import session session.restore_volume_data_state(volume_data_state) try: restore_volume_data() except: reportRestoreError('Error restoring volume data') def restore_surface_color_mapping(): try: surface_color_state = \ { 'class': 'Surface_Colorings_State', 'coloring_table': {}, 'geometry': '388x198+108+217', 'is_visible': False, 'version': 2, } import SurfaceColor.session SurfaceColor.session.restore_surface_color_state(surface_color_state) except: reportRestoreError('Error restoring surface color mapping') registerAfterModelsCB(restore_surface_color_mapping) def restore_surface_capping(): capper_state = \ { 'cap_offset': '0.001', 'cap_rgba': ( 1, 1, 1, 1.0, ), 'cap_style': 'solid', 'class': 'Capper_Dialog_State', 'color_caps': True, 'geometry': '272x192+98+184', 'is_visible': False, 'show_caps': False, 'subdivision_factor': '1.0', 'version': 1, } import SurfaceCap.session SurfaceCap.session.restore_capper_state(capper_state) try: restore_surface_capping() except: reportRestoreError('Error restoring surface capping') def restoreLightController(): import Lighting c = Lighting.get().setFromParams({'shininess': (30.0, (1.0, 1.0, 1.0), 1.0), 'key': (True, (1.0, 1.0, 1.0), 0.65327227115631104, (1.0, 1.0, 1.0), 1.0, (-0.35740674433659325, 0.66040155174814541, 0.66040155174814552)), 'fill': (True, (1.0, 1.0, 1.0), 0.49998998641967773, (1.0, 1.0, 1.0), 0.0, (0.25056280708573153, 0.25056280708573153, 0.93511312653102929))}) try: restoreLightController() except: reportRestoreError("Error restoring lighting parameters") def restoreSession_RibbonStyleEditor(): import SimpleSession import RibbonStyleEditor userScalings = [] userXSections = [] userResidueClasses = [] residueData = [(1, 'Chimera default', 'rounded', 'amino acid'), (2, 'Chimera default', 'rounded', 'amino acid'), (3, 'Chimera default', 'rounded', 'amino acid'), (4, 'Chimera default', 'rounded', 'amino acid'), (5, 'Chimera default', 'rounded', 'amino acid'), (6, 'Chimera default', 'rounded', 'amino acid'), (7, 'Chimera default', 'rounded', 'amino acid'), (8, 'Chimera default', 'rounded', 'amino acid'), (9, 'Chimera default', 'rounded', 'amino acid'), (10, 'Chimera default', 'rounded', 'amino acid'), (11, 'Chimera default', 'rounded', 'amino acid'), (12, 'Chimera default', 'rounded', 'amino acid'), (13, 'Chimera default', 'rounded', 'amino acid'), (14, 'Chimera default', 'rounded', 'amino acid'), (15, 'Chimera default', 'rounded', 'amino acid'), (16, 'Chimera default', 'rounded', 'amino acid'), (17, 'Chimera default', 'rounded', 'amino acid'), (18, 'Chimera default', 'rounded', 'amino acid'), (19, 'Chimera default', 'rounded', 'amino acid'), (20, 'Chimera default', 'rounded', 'amino acid'), (21, 'Chimera default', 'rounded', 'amino acid'), (22, 'Chimera default', 'rounded', 'amino acid'), (23, 'Chimera default', 'rounded', 'amino acid'), (24, 'Chimera default', 'rounded', 'amino acid'), (25, 'Chimera default', 'rounded', 'amino acid'), (26, 'Chimera default', 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restoreMidasText(): from Midas import midas_text midas_text.aliases = {} midas_text.userSurfCategories = {} try: restoreMidasText() except: reportRestoreError('Error restoring Midas text state') def restoreMidasBase(): import chimera from SimpleSession import modelMap, modelOffset def deformatPosition(pos): xfDict = {} for molId, xfData in pos[5].items(): mid, subid = molId trData, rotData = xfData xf = chimera.Xform.translation(*trData) xf.rotate(*rotData) xfDict[(mid+modelOffset, subid)] = xf try: from chimera.misc import KludgeWeakWrappyDict clipDict = KludgeWeakWrappyDict("Model") except ImportError: from weakref import WeakKeyDictionary clipDict = WeakKeyDictionary() for clipID, clipInfo in pos[6].items(): mid, subid, className = clipID models = [m for m in modelMap.get((mid, subid), []) if m.__class__.__name__ == className] if not models: continue useClip, ox, oy, oz, nx, ny, nz, useThick, thickness = clipInfo if useClip: origin = chimera.Point(ox, oy, oz) normal = chimera.Vector(nx, ny, nz) plane = chimera.Plane(origin, normal) else: plane = chimera.Plane() for m in models: clipDict[m] = (useClip, plane, useThick, thickness) return pos[:5] + (xfDict, clipDict) + pos[7:] formattedPositions = {'session-start': (0.91242000000000001, 41.114899999999999, (6.1310000000000002, 65.373000000000005, 57.349499999999999), (98.464399999999998, 16.2346), 57.349499999999999, {(0, 0): ((-10.1286, -20.599599999999999, 54.453899999999997), (-0.93844571414339795, 0.34248389567720205, -0.044993586294664156, 39.953999999999994))}, {}, 1, (5.2639802956341271, 65.742553900314689, 57.914571061633573))} positions = {} for name, fpos in formattedPositions.items(): positions[name] = deformatPosition(fpos) import Midas if modelOffset > 0: Midas.positions.clear() Midas.positions.update(positions) positionStack = [] Midas._positionStack = map(deformatPosition, positionStack) def delayedMidasBase(): try: restoreMidasBase() except: reportRestoreError('Error restoring Midas base state') import SimpleSession SimpleSession.registerAfterModelsCB(delayedMidasBase) try: import StructMeasure from StructMeasure.DistMonitor import restoreDistances registerAfterModelsCB(restoreDistances, 1) except: reportRestoreError("Error restoring distances in session") def restoreRemainder(): from SimpleSession.versions.v37 import restoreWindowSize, \ restoreOpenStates, restoreSelections, restoreFontInfo, \ restoreOpenModelsAttrs, restoreModelClip curSelIds = [] savedSels = [] openModelsAttrs = { 'cofrMethod': 1 } windowSize = (1158, 731) xformMap = {0: (((0.360456, 0.624769, 0.692629), 24.044), (1.66104, 8.37317, -8.41726), True)} fontInfo = {'face': ('Sans Serif', 'Normal', 16)} clipPlaneInfo = {} replyobj.status("Restoring window...", blankAfter=0) restoreWindowSize(windowSize) replyobj.status("Restoring open states...", blankAfter=0) restoreOpenStates(xformMap) replyobj.status("Restoring font info...", blankAfter=0) restoreFontInfo(fontInfo) replyobj.status("Restoring selections...", blankAfter=0) restoreSelections(curSelIds, savedSels) replyobj.status("Restoring openModel attributes...", blankAfter=0) restoreOpenModelsAttrs(openModelsAttrs) replyobj.status("Restoring model clipping...", blankAfter=0) restoreModelClip(clipPlaneInfo) replyobj.status("Restoring remaining extension info...", blankAfter=0) try: restoreRemainder() except: reportRestoreError("Error restoring post-model state") from SimpleSession.versions.v37 import makeAfterModelsCBs makeAfterModelsCBs() from SimpleSession.versions.v37 import endRestore replyobj.status('Finishing restore...', blankAfter=0) endRestore() replyobj.status('Restore finished.')