Feature #1512
request for make_ndx to read more then 30 characters in an index group name
Difficulty:
uncategorized
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
History
#1 Updated by Gerrit Code Review Bot over 6 years ago
Gerrit received a related patchset '1' for Issue #1512.
Uploader: Berk Hess (hess@kth.se)
Change-Id: I62d5146fdac06b7b5b7f56925addeca561c83173
Gerrit URL: https://gerrit.gromacs.org/3558
#2 Updated by Erik Lindahl over 6 years ago
- Status changed from New to Resolved
#3 Updated by Berk Hess over 6 years ago
- % Done changed from 0 to 100
Applied in changeset 48daa3110becb55e92ca42976852efc869fe4895.
#4 Updated by Berk Hess over 6 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
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