Using phenix.real_space_refine with mmcif model?

11 Feb
2016
11 Feb
'16
4:07 p.m.
Hello, Is it possible to use phenix.real_space_refine with mmcif input? When I attempt to run as "phenix.real_space_refine model.mmcif map.mrc" or "phenix.real_space_refine model.cif map.mrc" I get the error "Sorry: PDB file is needed", and looking at the documentation I cannot see how to explicitly specify the model (there is not "model" keyword or similar). Anybody have a way around this? Or is there a keyword I am missing? phenix.refine generally works fine with mmcif, but maybe real_space_refine has not been configured to do so yet? Would be helpful for large structures which break the regular pdb format if so. Cheers, Oli
3346
Age (days ago)
3350
Last active (days ago)
1 comments
2 participants
participants (2)
-
Oliver Clarke
-
Pavel Afonine