[phenixbb] phenix.real_space_refine - mmcif output?
osobolev at lbl.gov
Mon Sep 26 10:28:12 PDT 2016
Thank you for pointing this out. We will work on this and this feature
should become available shortly.
Meanwhile, I would recommend to use phenix.pdb_as_cif command-line tool to
convert pdb files to mmcif as it would preserve more information (for
example, secondary structure annotations).
On Sat, Sep 24, 2016 at 2:22 AM, Oliver Clarke <olibclarke at gmail.com> wrote:
> Any chance of getting mmcif output in phenix.real_space_refine? Or does it
> exist and I have just overlooked the option? Right now I can use mmcif as
> input, but the refined coordinates are still written as pdb (hybrid32). The
> PDB unfortunately doesn’t accept hybrid32, so I always need to convert to
> mmcif with phenix.pdbtools prior to deposition - no big deal but would make
> life easier for large-ish structures.
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