Use only first character of chain name for PDB

Open ameya98 opened this issue 11 months ago • 3 comments

Fixes #209

Mar 17 '25 19:03 ameya98

You can have up to two characters for chain IDs (see https://www.rcsb.org/docs/general-help/identifiers-in-pdb). Simply cutting the ID off can introduce clashes so you might require some new mapping.

Apr 02 '25 16:04 lhatsk

I see. Hmm, the pdb output seems to break with length 2 chain IDs as well.

Apr 02 '25 17:04 ameya98

Sorry, I think I was wrong. In the legacy format you can only have one character: https://www.wwpdb.org/documentation/file-format-content/format33/sect9.html#ATOM

The issue with potential clashes remains.

Apr 02 '25 18:04 lhatsk