Hi all, I am getting the following error when trying to invert a chiral center in certain specific molecules, for example glycerol 3 phosphate (or any substituted glycerol I’ve tried so far):
In /Library/Coot/share/guile/1.8/gtk-2.0/gtk.scm: 147: 0* [apply #<procedure #f ()> ()] In unknown file: ?: 1 [#<procedure #f ()>] In /Library/Coot/share/coot/scheme/coot-utils.scm: ... 3187: 2 (let* ((new-mol #)) (let* (#) (if chem-comp #)) ...) 3204: 3* [set-monomer-restraints #f (# # # # ...)] /Library/Coot/share/coot/scheme/coot-utils.scm:3204:28: In procedure SWIG_Guile_scm2newstr in expression (set-monomer-restraints new-residue-name restraints): /Library/Coot/share/coot/scheme/coot-utils.scm:3204:28: Wrong type argument in position 1: #f Invert chiral center seems to work on other chiral centers, just not this particular one. Incidentally, is there any way to specify the absolute stereochemistry at a given center when using ligand builder/lidia to generate a new ligand? Best, Oliver.
