Dear all, using ccp4 6.2.1 I have difficulties with the stereochemistry of oligosaccharide ligands as years ago(My Mail from 2005: stereoisomer as alternative conformations). REFMAC uses NAG-B-D but we have also NAG-A-D with an occupancy 0.70:0.30 bound in the same place. REFMAC has problems with the chiral volumes. The change of the restrain weight CHIR = 1.0 to 0.0 is not the method of choice. It results in more “ Chiral volume outliers” with >10.000Sigma. Is there a work around available or a more elegant method to get the correct library for the stereoisomers (alternative conformations)? Thank you for any hint. Juergen
