16 Jun
2025
16 Jun
'25
9:07 p.m.
Hi Alexis, As S-palmitoyl cysteine already exists in the CCD, my dumb way of going about it would be to...
fetch P1L from within ChimeraX (open P1L from ccd) Trim off the H2, HXT and OXT (select atoms > del sel) combine the models (combine #1,2 m 3) delete pre-existing Cys change P1L attributes to take the palce of Cys (setattr sel residue number x, setattr sel residue chain_id y) manually make bonds between selected N-and-C's (ISOLDE menu > Model Building > Make Bond)
Saves you from having to parameterise independently. Cheers, Yang