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
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Nigel W. Moriarty
Building 33R0349, Molecular Biophysics and Integrated Bioimaging
Lawrence Berkeley National Laboratory
Berkeley, CA 94720-8235
Phone : 510-486-5709 Email : [email protected]
Fax : 510-486-5909 Web : CCI.LBL.gov
On Wed, Jun 21, 2017 at 5:47 PM, Joel Tyndall
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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