merge residues in master
Revert "merge residues in master"

This reverts commit d7f73f3b41f2650564c48c78ce9f32f66b23fa9f.
manual updates
handles also ommited res file ending
handle negative occupancy number
gffd
manual update
cfgjhh
dxfgh
added cp to db
more clever fniding for shelxl exe
handle xl97
new minor release
user write permission for database and resi in db removed
merge residues in master
Revert "merge residues in master"

This reverts commit d7f73f3b41f2650564c48c78ce9f32f66b23fa9f.
manual updates
handles also ommited res file ending
handle negative occupancy number
gffd