Huge patch update to the ProTherm api. The patch dict is being phased out. PDB chain data added. Added cases where the wrong PDB ID was used for both T4 and human lysozyme cases when the experiment used a cysteine free pseudo-wildtype. Switching to a less verbose system i.e. defining patches in loops which also reduces data entry error. Starting to move away from dicts to lists of tuples which will be merged into a dict. This is to avoid data-entry errors where the same record is updated in the same dict (the first is ignored). I now keep track of records with DDG values which we ignore and why so that all DDG records can be iterated over regardless of the number of incomplete fields so long as they are not explicitly listed as problematic. We now use a single merged dict for the patches (cases with wrong signs are still handled separately). Fixed a bug with "found_one_required_key". Diff tested against latest version of ProTherm (ProTherm25844.dat).
Huge patch update to the ProTherm api.
The patch dict is being phased out.
PDB chain data added.
Added cases where the wrong PDB ID was used for both T4 and human lysozyme cases when the experiment used a cysteine free pseudo-wildtype.
Switching to a less verbose system i.e. defining patches in loops which also reduces data entry error.
Starting to move away from dicts to lists of tuples which will be merged into a dict. This is to avoid data-entry errors where the same record is updated in the same dict (the first is ignored).
I now keep track of records with DDG values which we ignore and why so that all DDG records can be iterated over regardless of the number of incomplete fields so long as they are not explicitly listed as problematic.
We now use a single merged dict for the patches (cases with wrong signs are still handled separately).
Fixed a bug with "found_one_required_key".
Diff tested against latest version of ProTherm (ProTherm25844.dat).

git-svn-id: 87484315afa465323cdf587714f7c4c5564097ce@779 fc5780ad-6544-46e6-b60b-86c75d3988a5

Kortemme-Lab/kddg,Kortemme-Lab/kddg