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Feature #1512

request for make_ndx to read more then 30 characters in an index group name

Added by Chris Neale over 5 years ago. Updated over 5 years ago.

Status:
Closed
Priority:
Low
Assignee:
Category:
analysis tools
Target version:
Difficulty:
uncategorized
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Description

make_ndx seems to be able to create groups greater than 30 characters, but can not later use them in new definitions. See the below output from version 4.6.5

Reading structure file
Going to read 1 old index file(s)

0 System              :  2105 atoms
1 Protein : 2105 atoms
2 Protein-H : 1018 atoms
3 C-alpha : 122 atoms
4 Backbone : 366 atoms
5 MainChain : 493 atoms
6 MainChain+Cb : 613 atoms
7 MainChain+H : 622 atoms
8 SideChain : 1483 atoms
9 SideChain-H : 525 atoms
10 r_112_113_114_115_116_117_118_119_120_121_122_&_CA: 11 atoms
nr : group       !   'name' nr name   'splitch' nr    Enter: list groups
'a': atom & 'del' nr 'splitres' nr 'l': list residues
't': atom type | 'keep' nr 'splitat' nr 'h': help
'r': residue 'res' nr 'chain' char
"name": group 'case': case sensitive 'q': save and quit
'ri': residue index

!r_112_113_114_115_116_117_118_119_120_121_122_&_CA

Name is too long, the maximum is 30 characters

Syntax error: "_112_113_114_115_116_117_118_119_120_121_122_&_CA"

!10

Copied index group 10 'r_112_113_114_115_116_117_118_119_120_121_122_&_CA'
Complemented group: 2094 atoms

11 !r_112_113_114_115_116_117_118_119_120_121_122_&_CA:  2094 atoms

Associated revisions

Revision 48daa311 (diff)
Added by Berk Hess over 5 years ago

Set make_ndx max name length and count to 1024

Limits were 30, which was a bit on the low side.
Fixes #1512

Change-Id: I62d5146fdac06b7b5b7f56925addeca561c83173

History

#1 Updated by Gerrit Code Review Bot over 5 years ago

Gerrit received a related patchset '1' for Issue #1512.
Uploader: Berk Hess ()
Change-Id: I62d5146fdac06b7b5b7f56925addeca561c83173
Gerrit URL: https://gerrit.gromacs.org/3558

#2 Updated by Erik Lindahl over 5 years ago

  • Status changed from New to Resolved

#3 Updated by Berk Hess over 5 years ago

  • % Done changed from 0 to 100

#4 Updated by Berk Hess over 5 years ago

  • Category set to analysis tools
  • Status changed from Resolved to Closed
  • Assignee set to Berk Hess
  • Target version changed from future to 5.0

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