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Issue loading multi model PDB file

Open giagitom opened this issue 5 years ago • 3 comments

Hi, This multi model file nucleicModel.pdb.txt presents broken atomic connections in state 2, 3 and 5. I have found the issue is due to the position of the first ENDMDL record. Moving it immediately after CONNECT records restores the correct atomic connections.

giagitom avatar Oct 11 '19 13:10 giagitom

The problem is that the models are not homogeneous. ATOM 1 from the first model is different from ATOM 1 in the second model, and bonds are specified by atom ID. According to the PDB spec, all models should be homogeneous.

It seems there is currently no sane way to load this into PyMOL. I've tried different connect_mode options and discrete loading. Whether the PDB parser can be modified to support such data without breaking something else needs some careful investigation.

speleo3 avatar Oct 11 '19 14:10 speleo3

Hi Thomas, I understand.. This is certainly a non standard pdb file format

giagitom avatar Oct 11 '19 20:10 giagitom

The easiest way to load this is to replace MODEL by HEADER (search and replace using your favorite text editor), then PyMOL will load 5 independent objects.

speleo3 avatar Nov 05 '19 17:11 speleo3