[phenixbb] Fw: Reading a shelx file
pafonine at lbl.gov
Wed Dec 24 21:07:02 PST 2014
> Can I read a Shelx file with Phenix and output the new pdb in Phenix
no, sorry. Shelx format isn't really well supported. We have some code
that can parse these files but I have no idea how up-to-date it is and I
doubt it is very well tested, and it is not user-level exposed.
Only PDB and mmCIF are fully supported in most tools (Tom, Randy: is
mmCIF supported in Phaser and Autobuil and other related utilities?).
I guess you can convert Shelx file into PDB file with dedicated Shelx
utility (ShelxPro?). I would expect Tim can offer more comments.
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