2 Jul
2025
2 Jul
'25
2:26 a.m.
rgd question three: I had another look at the output, and it seams that IMP does not account for the S-S bonds in the linker, in some of the output structures the two SG atoms of a di-sulfide bond are far apart from each other (>9Angstrom) ... when I try to account for that by putting the corresponding atom numbers in the conect_chains.txt file then i get the error quoted in the original msg) ... Is there any work-around for this issue? thanks! michael
PS I put a wrong title/header in the original msg, but it seems posts cannot be edited after being sent ...