Re: [COOT] DGL (D-glutamic acid) adds a L-glutamic acid

2020-06-03 Thread Robbie Joosten
Hi Clemens, > On Wed, Jun 03, 2020 at 04:39:06PM +, Robbie Joosten wrote: > > The restraint file for DGL in the dictionary was wrong and the > > chirality of the CA was not forced into the D-chirality. > > Yes, having > > loop_ > _chem_comp_chir.comp_id > _chem_comp_chir.id > _chem_comp_

Re: [COOT] DGL (D-glutamic acid) adds a L-glutamic acid

2020-06-03 Thread Clemens Vonrhein
Dear all, On Wed, Jun 03, 2020 at 04:39:06PM +, Robbie Joosten wrote: > The restraint file for DGL in the dictionary was wrong and the > chirality of the CA was not forced into the D-chirality. Yes, having loop_ _chem_comp_chir.comp_id _chem_comp_chir.id _chem_comp_chir.atom_id_centre _

Re: [COOT] DGL (D-glutamic acid) adds a L-glutamic acid

2020-06-03 Thread Robbie Joosten
Hi Mateo, The restraint file for DGL in the dictionary was wrong and the chirality of the CA was not forced into the D-chirality. The attached restraint file should work. Just replace the one you have. Cheers, Robbie > -Original Message- > From: Mailing list for users of COOT Crystallo