[phenixbb] Refining ligands in a structure

[Joel Tyndall]

Hi folks,

It has been a while since we have done much with phenix. We are refining a structure with a known ligand, voriconazole (exists on the pdb). We get an error regarding a lack of .cif file/restraints.

Do we normally need to specify a cif file given this is a known ligand and can be retrieved in Coot?

I assume that phenix would call on a known library of ligands/monomers that are known. Is this the correct library?

phenix-installer-1.17.1-3660-intel-windows-x86_64\modules\chem_data\chemical_components\

Many thanks

Joel





Joel Tyndall | BSc(Hons) PhD

Associate Professor in Medicinal Chemistry
School of Pharmacy | He Rau Kawakawa
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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