URL:
<http://gna.org/bugs/?21520>
Summary: Failure of the structure.write_pdb user function if
too many models, hence atoms, are present.
Project: relax
Submitted by: bugman
Submitted on: Mon 20 Jan 2014 04:11:38 PM GMT
Category: None
Severity: 3 - Normal
Priority: 5 - Normal
Status: None
Privacy: Public
Assigned to: bugman
Originator Name:
Originator Email:
Open/Closed: Open
Discussion Lock: Any
Release: 3.1.3
Operating System: All systems
_______________________________________________________
Details:
If too many atoms are present, the MASTER record creation fails with the error
about the MASTER record being too long. The message with the debugging flag
turned on is:
Traceback (most recent call last):
File "/data/relax/branches/double_rotor/prompt/interpreter.py", line 341, in
exec_script
runpy.run_module(module, globals)
File "/usr/lib64/python2.7/runpy.py", line 180, in run_module
fname, loader, pkg_name)
File "/usr/lib64/python2.7/runpy.py", line 72, in _run_code
exec code in run_globals
File
"/data/relax/branches/double_rotor/test_suite/shared_data/frame_order/cam/double_rotor/generate_distribution.py",
line 46, in <module>
generate.run()
File "../generate_base.py", line 77, in run
self._create_distribution()
File "../generate_base.py", line 229, in _create_distribution
self.interpreter.structure.write_pdb('distribution.pdb', compress_type=2,
force=True)
File "/data/relax/branches/double_rotor/prompt/uf_objects.py", line 221, in
__call__
self._backend(*new_args, **uf_kargs)
File "/data/relax/branches/double_rotor/pipe_control/structure/main.py",
line 1212, in write_pdb
cdp.structure.write_pdb(file, model_num=model_num)
File "/data/relax/branches/double_rotor/lib/structure/internal/object.py",
line 2709, in write_pdb
pdb_write.master(file, num_het=len(het_data_coll),
num_coord=num_atom+num_hetatm, num_ter=num_ter, num_conect=num_conect)
File "/data/relax/branches/double_rotor/lib/structure/pdb_write.py", line
1330, in master
_record_validate(text)
File "/data/relax/branches/double_rotor/lib/structure/pdb_write.py", line
85, in _record_validate
raise RelaxError("The PDB record '%s' is too long." % record)
RelaxError: RelaxError: The PDB record 'MASTER 0 0 2 0 0
0 0 0135000 1000 0 0 ' is too long.
_______________________________________________________
Reply to this item at:
<http://gna.org/bugs/?21520>
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