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Bug #916

PDB information not accessible in selections

Added by Teemu Murtola over 5 years ago. Updated about 4 years ago.

Status:
Closed
Priority:
Normal
Assignee:
Category:
selections
Target version:
Affected version - extra info:
4.5-4.5.5
Affected version:
Difficulty:
uncategorized
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Description

Selection keywords altloc, beta and occupancy are not functional. This is because read_tps_conf() never initializes the pdbinfo field in t_atoms, even if the input file is a PDB file.

Should be straightforward to fix.


Related issues

Related to GROMACS - Bug #917: PDB information lost with trjconv Closed 04/12/2012

Associated revisions

Revision 368f153a (diff)
Added by Teemu Murtola over 5 years ago

Read PDB information in read_tps_conf().

Fixes #916.

Change-Id: Iaa2bed444b632b4596c6a4e9a4c527a6bc0236b8

History

#1 Updated by Teemu Murtola over 5 years ago

  • Status changed from New to Closed

Should be fixed by the linked commit.

#2 Updated by Teemu Murtola about 4 years ago

  • Category changed from analysis tools to selections
  • Affected version set to 4.5.5

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