Re: [ccp4bb] phenix.refine error

2015-07-06 Thread Nigel Moriarty
Yamei You should ask questions about Phenix on the PhenixBB http://www.phenix-online.org/mailman/listinfo/phenixbb. You problem arises because you also need to supply the data_link.cif (most likely file name). Contact me directly if you need more help. Cheers Nigel --- Nigel W. Moriarty Build

[ccp4bb] phenix.refine error

2015-07-05 Thread yamei yu
Hi all, Recently I refine a structure with a small molecular covalently linked with it. I apply the cif file of the small molecule to the software (phenix.refine) and in the input file I add the link like this: apply_cif_link { data_link = "TAJ-ASP" residue_selection_1 = "chain