MODELLER 8v1, Jun 20, 2005 11:37am PROTEIN STRUCTURE MODELLING BY SATISFACTION OF SPATIAL RESTRAINTS Copyright(c) 1989-2005 Andrej Sali All Rights Reserved Written by A. Sali with help from B. Webb, M.S. Madhusudhan, M-Y. Shen, M.A. Marti-Renom, N. Eswar, F. Alber, M. Topf, B. Oliva, A. Fiser, R. Sanchez, B. Yerkovich, A. Badretdinov, F. Melo, J.P. Overington, E. Feyfant University of California, San Francisco, USA Rockefeller University, New York, USA Harvard University, Cambridge, USA Imperial Cancer Research Fund, London, UK Birkbeck College, University of London, London, UK Kind, OS, HostName, Kernel, Processor: 4, WinXP build 2600 Service Pack 2, BO, uni, x86 Family 15 Model 2 Stepping 7 Date and time of compilation : 06/21/2005 10:55:30 MODELLER executable type : i386-w32 Job starting time (YY/MM/DD HH:MM:SS): 2000/01/19 11:43:18.780 openf5__224_> Open 11 OLD SEQUENTIAL $(LIB)/restyp.lib openf5__224_> Open 11 OLD SEQUENTIAL ${MODINSTALL8v1}/modlib/resdih.lib rdrdih__263_> Number of dihedral angle types : 9 Maximal number of dihedral angle optima: 3 Dihedral angle names : Alph Phi Psi Omeg chi1 chi2 chi3 chi4 chi5 openf5__224_> Open 11 OLD SEQUENTIAL ${MODINSTALL8v1}/modlib/radii.lib openf5__224_> Open 11 OLD SEQUENTIAL ${MODINSTALL8v1}/modlib/radii14.lib openf5__224_> Open 11 OLD SEQUENTIAL ${MODINSTALL8v1}/modlib/af_mnchdef.lib rdwilmo_274_> Mainchain residue conformation classes: APBLE openf5__224_> Open 11 OLD SEQUENTIAL ${MODINSTALL8v1}/modlib/mnch.lib rdclass_257_> Number of classes: 5 openf5__224_> Open 11 OLD SEQUENTIAL ${MODINSTALL8v1}/modlib/mnch1.lib openf5__224_> Open 11 OLD SEQUENTIAL ${MODINSTALL8v1}/modlib/mnch2.lib openf5__224_> Open 11 OLD SEQUENTIAL ${MODINSTALL8v1}/modlib/mnch3.lib openf5__224_> Open 11 OLD SEQUENTIAL ${MODINSTALL8v1}/modlib/xs4.mat rdrrwgh_268_> Number of residue types: 21 runcmd______> model.read(file='2HI4-1A2', (def)model_format='PDB', model_segment=('FIRST:@', 'END:')) openf5__224_> Open 11 OLD SEQUENTIAL ../atom_files/\2HI4-1A2.pdb Dynamically allocated memory at amaxmodel [B,kB,MB]: 2691029 2627.958 2.566 openf5__224_> Open 11 OLD SEQUENTIAL ../atom_files/\2HI4-1A2.pdb read_mo_297_> Segments, residues, atoms: 1 480 3845 read_mo_298_> Segment: 1 34 A 513 A 3845 runcmd______> alignment.append_model(atom_files=['2HI4-1A2'], align_codes=['2HI4-1A2'], add_sequence=True) Dynamically allocated memory at amaxalignment [B,kB,MB]: 2702355 2639.019 2.577 Dynamically allocated memory at amaxstructure [B,kB,MB]: 2978015 2908.218 2.840 runcmd______> model.read(file='1PQ2-2C8A', (def)model_format='PDB', model_segment=('FIRST:@', 'END:')) openf5__224_> Open 11 OLD SEQUENTIAL ../atom_files/\1PQ2-2C8A.pdb Dynamically allocated memory at amaxmodel [B,kB,MB]: 3533461 3450.646 3.370 openf5__224_> Open 11 OLD SEQUENTIAL ../atom_files/\1PQ2-2C8A.pdb read_mo_297_> Segments, residues, atoms: 1 463 3693 read_mo_298_> Segment: 1 28 A 490 A 3693 runcmd______> alignment.append_model(atom_files=['2HI4-1A2', '1PQ2-2C8A'], align_codes=['2HI4-1A2', '1PQ2-2C8A'], add_sequence=True) Dynamically allocated memory at amaxalignment [B,kB,MB]: 3539959 3456.991 3.376 Dynamically allocated memory at amaxstructure [B,kB,MB]: 3805413 3716.224 3.629 runcmd______> model.read(file='1OG5-2C9A', (def)model_format='PDB', model_segment=('FIRST:@', 'END:')) openf5__224_> Open 11 OLD SEQUENTIAL ../atom_files/\1OG5-2C9A.pdb Dynamically allocated memory at amaxmodel [B,kB,MB]: 4360387 4258.190 4.158 openf5__224_> Open 11 OLD SEQUENTIAL ../atom_files/\1OG5-2C9A.pdb read_mo_297_> Segments, residues, atoms: 1 461 3692 read_mo_298_> Segment: 1 30 A 490 A 3692 runcmd______> alignment.append_model(atom_files=['2HI4-1A2', '1PQ2-2C8A', '1OG5-2C9A'], align_codes=['2HI4-1A2', '1PQ2-2C8A', '1OG5-2C9A'], add_sequence=True) Dynamically allocated memory at amaxalignment [B,kB,MB]: 4366885 4264.536 4.165 Dynamically allocated memory at amaxstructure [B,kB,MB]: 4631611 4523.058 4.417 runcmd______> model.read(file='2c17', (def)model_format='PDB', model_segment=('FIRST:@', 'END:')) pdbnam__217W> Filename for PDB code not found: 2c17 Directories: ./:../atom_files/ Extensions : :.atm:.pdb:.ent:.crd openf5__224_> Open 11 OLD SEQUENTIAL file-not-found openf5__225E> File does not exist: file-not-found