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 : [email protected] Fax : 510-486-5909 Web : CCI.LBL.gov On Wed, Jun 21, 2017 at 5:47 PM, Joel Tyndall 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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