wells-wood-research / de-stress

DE-STRESS is a model evaluation pipeline that aims to make protein design more reliable and accessible.
http://destressprotein.design
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DSSP Error Fix #79

Closed ChrisWellsWood closed 3 years ago

ChrisWellsWood commented 3 years ago

Fixes the errors causing #44. There were 2 main things required to do this, an update to the ISAMBARD version and relabelling structures before running analysis. This gets rid of awkward labelling, including insertion codes (which were the root cause of this bug) and actually makes it easier to perform some analysis.

Closes #44