[phenixbb] Fw: Reading a shelx file

Terwilliger, Thomas Charles terwilliger at lanl.gov
Thu Dec 25 08:26:03 PST 2014

Hi Pavel,
Yes, mmCIF is supported in autosol/autobuild and most related utilities.  Autosol and autobuild can also write out all results in mmCIF for compatibility with the new PDB standards.
All the best,
Tom T

From: phenixbb-bounces at phenix-online.org [phenixbb-bounces at phenix-online.org] on behalf of Pavel Afonine [pafonine at lbl.gov]
Sent: Wednesday, December 24, 2014 10:07 PM
To: Rex Palmer; PHENIX user mailing list
Subject: Re: [phenixbb] Fw: Reading a shelx file

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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