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