Log disulfide bridges #625
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- doesn't seem to assert correctly atm but not clear why, the link gets found correctly
pckroon
requested changes
Oct 29, 2024
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I like the idea, but I think you can already achieve this by adding a [ info ] section to the link:
;; Cystein bridge
[ link ]
resname "CYS"
[ constraints ]
SC1 >SC1 1 0.24 {"comment": "Disulfide bridge"}
[ features ]
disulfide
[ info ]
Disulfide bridge found between residues {SC1['chain']}-{SC1['resname']}{SC1['resid']} and {>SC1['chain']}-{>SC1['resname']}{>SC1['resid']}
Note that this is an educated guess and YMMV
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Nice, that worked with a small adjustment thanks! |
pckroon
reviewed
Oct 29, 2024
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Small useful feature to write where disulfide bridges have actually been found as per #620. Can't see any effect on time. message might need some work.