Tsjerk
Tsjerk
To streamline the code in places (especially with links) it would be good to have a ResidueID class, that combines the residue number, name and chain, and/or has a reference...
The coordinate generating processor. Unfortunately, the chirality is not always consistent, even for backbone, which needs to be fixed, and the side chains with rings are not well constructed. Otherwise,...
Rescaling XY PBC for absolute numbers of lipids takes the hole and protein area into account, but does not consider the grid that is used for placement. This may cause...