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> _______________________________________________ Message sent via/by Gna! http://gna.org/