Pdb conect nodup

From PyMOLWiki
Revision as of 03:13, 20 August 2014 by Hongbo zhu (talk | contribs) (new page about setting pdb_conect_nodup and tricks to store bond order in PDB files.)
(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)
Jump to: navigation, search


The pdb_conect_nodup setting in pymol controls if duplicated connectivity record (CONECT) in saved PDB is used to stored bond order.

This is an unofficial PDB feature to store bond order and is supported by several applications that read PDB files, but may break PDB file loading in other applications which don't support it. PyMOL always wrote duplicated connect records (pdb_conect_nodup=on) and the setting allows you to switch that off (pdb_conect_nodup=on)Template:Cite mailing list.


set pdb_conect_nodup, 1  # no CONECT duplication is used to store bond order