[phenixbb] Fw: Reading a shelx file

Pavel Afonine pafonine at lbl.gov
Wed Dec 24 21:07:02 PST 2014

Hello Rex,

> Can I read a Shelx file with Phenix and output the new pdb in Phenix 
> format?

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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