Changes for CCP4online & general fixes

rigdenlab / SIMBAD

Sequence Independent Molecular replacement Based on Available Database

http://simbad.rtfd.io

BSD 3-Clause "New" or "Revised" License

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Changes for CCP4online & general fixes #92

Closed hlasimpk closed 5 years ago

hlasimpk commented 5 years ago

Altered pyrvapi code so that:

Relative paths are set for CCP4online
Fixed the path of the log file
Citation tab was added in the same style as AMPLE (If there are any more citations which I have forgotten here, let me know and I'll add them in)

Altered phaser/mtz util code so that:

No longer pointlessly reindexing MTZ in scenarios where the input space group wasn't changed
Altered the input arguments to pointless so that the h,k,l order is no-longer changed

hlasimpk commented 5 years ago

The CCP4online code should be tested before accepting this pull request to ensure that I didn't miss anything when copying over the changes I made on Morrigan.

Also the citation tab requires a simbad.bib file that I am storing in static, so make sure you include that file.