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Published 20 hours ago • verified publisher icon marrink-lab

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Open fgrunewald opened this issue 1 year ago • 3 comments

This PR implements comment reading and annotation for the itp-reader. It also makes apply_rubber_band label the rubber bands. This PR partially addresses #452 and related issues. With Martini3 it is not possible to distinguish the rubber-bonds from normal bonds via the type. Therefore it is safer to label them with a comment which can be picked up by the meta argument of the interactions. This enables to use the itp-reader to actually draw bonds in VMD and other packages.

fgrunewald avatar Sep 06 '22 15:09 fgrunewald