check dssp version before running DSSP

marrink-lab / vermouth-martinize

Describe and apply transformation on molecular structures and topologies

Apache License 2.0

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check dssp version before running DSSP #491

Closed fgrunewald closed 1 year ago

fgrunewald commented 1 year ago

Quick check to see if DSSP has the correct version.

fgrunewald commented 1 year ago

@pckroon I thought looking for "version 3.0.0" in the output string is a bit safer cuz who knows if DSSP will format their output appropriately. Since this is a quick-fix I think it's not needed but as you like