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PeptideCapProcessor does not generate BALL ResidueChecker approved fragments

Open anhi opened this issue 10 years ago • 0 comments

Reported by akdehof on 29 May 41842109 10:17 UTC The resulting structures do not validate with the ResidueChecker: (something like ResidueChecker: did not find... E:ACE::OXT (template was ACE-M) did not find atom H of I:NME in the reference reisude NME-M -- seems like the residue checker does not figure out the correct terminality of the residues (probably incorrectly stored in the FragDB)

anhi avatar Feb 20 '15 03:02 anhi