Difference between revisions of "Pdb use ter records"
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When a molecule (e.g. a protein molecule) is saved in pdb format by PyMOL, a line of [http://www.wwpdb.org/documentation/file-format-content/format33/sect9.html#TER TER] record is inserted wherever the residue id is not sequential. To suppress this feature, set <tt>pdb_use_ter_records</tt> value to 0 before saving protein molecules. | When a molecule (e.g. a protein molecule) is saved in pdb format by PyMOL, a line of [http://www.wwpdb.org/documentation/file-format-content/format33/sect9.html#TER TER] record is inserted wherever the residue id is not sequential. To suppress this feature, set <tt>pdb_use_ter_records</tt> value to 0 before saving protein molecules. | ||
| − | =Example= | + | == Version History == |
| + | |||
| + | * 2.3.0 new implementation, [https://github.com/schrodinger/pymol-testing/commit/82440d760b6b2b48b2cb1ca6c0bb5347870a4541 works correctly with gaps] | ||
| + | * 1.8.4 feature removed | ||
| + | * <= 1.8.2 feature broken for various use cases (e.g. gaps) | ||
| + | * <= 1.5.0.4 feature broken for HETATM polymer residues (e.g. MSE) | ||
| + | |||
| + | == Example == | ||
<source lang="python"> | <source lang="python"> | ||
get pdb_use_ter_records # return current value of pdb_use_ter_records | get pdb_use_ter_records # return current value of pdb_use_ter_records | ||
set pdb_use_ter_records, 0 | set pdb_use_ter_records, 0 | ||
| + | </source> | ||
| − | + | == PyMOL API == | |
| − | cmd.set( | + | <source lang="python"> |
| + | cmd.set('pdb_use_ter_records', 0) | ||
</source> | </source> | ||
| + | |||
| + | == See Also == | ||
| + | |||
| + | * [[pdb_conect_nodup]] | ||
| + | * [[pdb_conect_all]] | ||
[[Category:Settings|Pdb_use_ter_records]] | [[Category:Settings|Pdb_use_ter_records]] | ||
Latest revision as of 08:32, 17 December 2018
When a molecule (e.g. a protein molecule) is saved in pdb format by PyMOL, a line of TER record is inserted wherever the residue id is not sequential. To suppress this feature, set pdb_use_ter_records value to 0 before saving protein molecules.
Version History
- 2.3.0 new implementation, works correctly with gaps
- 1.8.4 feature removed
- <= 1.8.2 feature broken for various use cases (e.g. gaps)
- <= 1.5.0.4 feature broken for HETATM polymer residues (e.g. MSE)
Example
get pdb_use_ter_records # return current value of pdb_use_ter_records
set pdb_use_ter_records, 0
PyMOL API
cmd.set('pdb_use_ter_records', 0)