Joel

From your description, you are saying a ligand in your model is causing an error because it's not finding the restraints in the restraints libraries distributed with Phenix. Note all restraints files are shipped with Phenix. Only the ones that we have checked carefully.

Can you tell me the ligand code?

Cheers

Nigel

---
Nigel W. Moriarty
Building 33R0349, Molecular Biophysics and Integrated Bioimaging
Lawrence Berkeley National Laboratory
Berkeley, CA 94720-8235
Phone : 510-486-5709     Email : NWMoriarty@LBL.gov
Fax   : 510-486-5909       Web  : CCI.LBL.gov

On Wed, Jun 21, 2017 at 5:47 PM, Joel Tyndall <joel.tyndall@otago.ac.nz> wrote:

Hi there,

 

Having a few minor issues with my phenix setup on windows 10. I have the latest stable build Phenix1.11.1-2575.

 

When introducing a new ligand that exists in the monomer library, Pheix complains it does not have the geometry restraints (cif file)  - somehow it is not seeing its own library. How can I set up the cif library as default?

 

Cheers

 

Joel

 

 

Joel Tyndall | BSc(Hons) PhD

Associate Professor in Medicinal Chemistry
School of Pharmacy | Te Kura Mātauraka Wai-whakaora
University of Otago | Te Whare Wānanga o Otāgo

PO Box 56 9054

Dunedin | Ōtepoti

New Zealand | Aotearoa 

Ph: 64 3 479 7293
Skype: jtyndall

Website | pharmacy.otago.ac.nz 

 

 


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