Hi all, I'm trying to apply a cif link modification for MAN-MAN link and found this post explaining how to do that: http://www.phenix-online.org/pipermail/phenixbb/2007-July/000332.html However the syntax refinement.pdb_interpretation.apply_cif_link { data_link = NAG-NAG-b-D residue_selection_1 = chain A and resname NAG and resid 901 residue_selection_2 = chain A and resname ASN and resid 900 } gives me the following error *** apply_cif_link: data_link: NAG-NAG-b-D Sorry: Missing CIF link: data_link_NAG-NAG-b-D Please check for spelling errors or specify the file name with the link as an additional argument. *** Has the syntax changed or am I missing something? thanks a lot in advance, --alessandro phenix.refine --version: ------------------------------------------------------------------------------- PHENIX: Python-based Hierarchical ENvironment for Integrated Xtallography Version: 2008_02_08_1610 User: Alessandro -------------------------------------------------------------------------------
Hi Alessandro, The syntax looks right. Do you have a .cif file with the definition of the NAG-NAG-b-D link? The definition is not in the standard set. You have to create the file yourself, starting from a similar modification. Add the name of the new file to the phenix.refine command line. See also: http://www.phenix-online.org/download/cci_apps/ Section: CIF modifications and links Ralf
participants (2)
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Alessandro Nascimento
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Ralf W. Grosse-Kunstleve