Fw: Reading a shelx file
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Can I read a Shelx file with Phenix and output the new pdb in Phenix format? Rex Palmer http://www.bbk.ac.uk/biology/our-staff/emeritus-staff http://rexpalmer2010.homestead.com
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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. Pavel
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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: [email protected] [[email protected]] on behalf of Pavel Afonine [[email protected]] 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. Pavel
participants (3)
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Pavel Afonine
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Rex Palmer
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Terwilliger, Thomas Charles