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AndrewCRMartin / absplit

Code to split an antibody PDB file into Fv fragments with their antigens
GNU General Public License v3.0
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5kov - problem with H chain #28

Closed AndrewCRMartin closed 1 year ago

AndrewCRMartin commented 1 year ago

5kov - problem with H chain - weird chain names

       0P - ok but chain duplicated
       1P - ok but chain duplicated
       2P - not numbered (.bad) - confused by chain labels
       3P - ok but chain duplicated
       4P - ok? perhaps missing partner chain
       5P - OK
       6  - ok? perhaps missing partner chain
       7P - ok but chain duplicated
AndrewCRMartin commented 1 year ago

0P - Fixed in fix for #29 1P - Fixed in fix for #29 2P - not numbered (.bad) - confused by chain labels 3P - Fixed in fix for #29 4P - ok? perhaps missing partner chain 5P - OK 6 - ok? perhaps missing partner chain 7P - Fixed in fix for #29

AndrewCRMartin commented 1 year ago

Chain labelling now sorted - previously antigens with name of H or L were just downcased which messed things up with later stages of numbering. Now they are given lower case labels from a (and checks are made that these names are not already in use).

AndrewCRMartin commented 1 year ago

All fixed now:

0P - Fixed in fix for #29 1P - Fixed in fix for #29 2P - Fixed above 3P - #29 4P - Confirmed correct 5P - OK 6 - Confirmed correct 7P - Fixed in fix for #29