Does someone know an easy way to query Jmol for the residue sequence
numbers (atom property resno) for the first and last residues in each
chain? Something less brute force than scanning the ATOM records directly?
One issue is that ligands are often assigned to chains and given high
numbers, but they are not standard amino acids or nucleotides (so
they are HETATM not ATOM). Many are not covalently bound to a protein
or nucleotide chain, but some are. For example in 1igt
(immunoglobulin) the heavy chains end at residue 474. The ASN-bonded
sugars are then numbered 475-483 for each chain.
So its not sufficient to look for the highest resno assigned to a named chain.
Take 1igt as an example. I want an easy way to have Jmol tell me that
Chains B and D start at 1 and end at 474, and chains A and C start at
1 and end at 214.
The lengths I have already parsed out from SEQRES (using
jmolGetPropertyAsString('fileInfo', 'seqres')).
(Although the heavy chains are numbered from 1-474, their length is
only 444 with gaps in the numbering, and there are many insertion codes.)
Thanks, Eric
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