Re: [ccp4bb] [EXTERNAL] Re: [ccp4bb] add ligand with AceDRG

2024-04-26 Thread Diana Tomchick
When you try to use LIG in Phenix it gives you an error message as it doesn’t know that LIG is obsoleted. Diana Sent from my iPhone > On Apr 26, 2024, at 10:08 AM, Yong Wang > <3c4fc05cc53b-dmarc-requ...@jiscmail.ac.uk> wrote: > > EXTERNAL MAIL > > Dear all, > > Perhaps the issue is that

Re: [ccp4bb] [EXTERNAL] Re: [ccp4bb] add ligand with AceDRG

2024-04-26 Thread Yong Wang
Dear all, Perhaps the issue is that the refinement program should be able to handle the priority of ligand dictionary, i.e. your custom ligand ID and dictionary overrides any existing in the default collection. I have not had any trouble with LIG or SX1, both existing in PDB ligands. I also n