Heidi

Can you send me the files directly (just the model and others, not the maps) and I'll try to figure it out. Phenix is rather strict about the presence and absence of atoms at different points. I usually remove all the "deletes" in the mods.

Cheers

Nigel

---
Nigel W. Moriarty
Building 33R0349, Molecular Biophysics and Integrated Bioimaging
Lawrence Berkeley National Laboratory
Berkeley, CA 94720-8235
Email : NWMoriarty@LBL.gov
Web  : CCI.LBL.gov


On Tue, May 14, 2024 at 1:52 PM Heidi Schubert <heidi@biochem.utah.edu> wrote:

Hi,

 

Do you think you can link one ligand to two other molecules. (one NON-POLYMER and one peptide).

I guess my other option is to create a new ligand.

 

I assumed you pre-deleted the atoms that are supposed to be deleted in the link?

I did delete them and it complained and I put them back in and it’s complaining. Pretty similar errors, but I’m wondering if it’s just the second link that’s causing problems.

 

I’ve got files

PNS.cif

ACE.cif

PNS-SER.cif

ACE-PNS.cif

apply_link_ACE-PNS.def

apply_link_PNS-SER.def

 

Heidi

 

 

A screenshot of a computer error Description automatically generated

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