URL:
<http://gna.org/bugs/?23293>
Summary: PDB HETATM loading error - the last HETATM record is
sometimes not read from the PDB file.
Project: relax
Submitted by: bugman
Submitted on: Thu 19 Feb 2015 01:17:04 PM UTC
Category: relax's source code
Specific analysis category: All analyses
Priority: 5 - Normal
Severity: 2 - Minor
Status: None
Assigned to: bugman
Originator Name:
Originator Email:
Open/Closed: Open
Release: 3.3.6
Discussion Lock: Any
Operating System: All systems
_______________________________________________________
Details:
The last HETATM record of a molecule, when multiple molecules are present in
the PDB file, will not be read. This does not affect the last molecule.
The following files are attached:
- A test PDB file 'in.pdb'.
- A simple relax script 'test.py' which creates a data pipe, loads
'in.pdb' and creates the output 'out.pdb' file.
- The resultant corrupted 'out.pdb' file.
_______________________________________________________
File Attachments:
-------------------------------------------------------
Date: Thu 19 Feb 2015 01:17:05 PM UTC Name: out.pdb Size: 2kB By: bugman
<http://gna.org/bugs/download.php?file_id=23868>
-------------------------------------------------------
Date: Thu 19 Feb 2015 01:17:05 PM UTC Name: test.py Size: 108B By: bugman
<http://gna.org/bugs/download.php?file_id=23869>
-------------------------------------------------------
Date: Thu 19 Feb 2015 01:17:04 PM UTC Name: in.pdb Size: 2kB By: bugman
<http://gna.org/bugs/download.php?file_id=23867>
_______________________________________________________
Reply to this item at:
<http://gna.org/bugs/?23293>
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