Export of coordinates for CNS and sequence for CYANA

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Export of coordinates for CNS and sequence for CYANA #217

Closed GoogleCodeExporter closed 9 years ago

GoogleCodeExporter commented 9 years ago

The exportCns.py script now exports a CNS coordinate file (with one model).
The exportCyana.py script was already exporting a CYANA sequence file.

This is so that the output can be used directly for CYANA/CNS re-calculations.

Original issue reported on code.google.com by wfvran...@gmail.com on 28 Jul 2009 at 11:10

GoogleCodeExporter commented 9 years ago

I need to combine this with the setup that puts the files into NRG so that it's 
available from the web.
Thanks Wim

Original comment by jurge...@gmail.com on 29 Jul 2009 at 12:56

Changed state: Started

GoogleCodeExporter commented 9 years ago

Just checked for 2kc6. Looks ok so I'll include it before we finish paper.

Original comment by jurge...@gmail.com on 4 Aug 2009 at 4:54

GoogleCodeExporter commented 9 years ago

This issue was closed by revision r161.

Original comment by jurge...@gmail.com on 5 Aug 2009 at 6:32

Changed state: Fixed

GoogleCodeExporter commented 9 years ago

Updated Wattos.Episode_II.MRInterloop.java and $scripts_dir/processDOCR_FRED.csh
to include them.

The sequence file was actually already done at some point but the FC export 
scripts changed the directory 
structure a bit and so it was skipped.

Fixed in r161 and Wattos revision 171.

Somehow my commit of r161 trigger comment 3. Brilliant!

Original comment by jurge...@gmail.com on 5 Aug 2009 at 6:37