All right, one more peculiar question on the subject: If that is true - that > "others" in case means the bonds to the hydrogens added in riding positions during refinement
then how comes that in example 2veh the restraint listing does not have 'others' but still says that hydrogens were added? HEADER ISOMERASE 24-OCT-07 2VEH REMARK 2 RESOLUTION. 2.19 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.2.0019 REMARK 3 BOND LENGTHS REFINED (A): 2921 ; 0.026 ; 0.022 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED (DEGREES): 3989 ; 2.131 ; 1.945 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL . REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE REMARK 3 RIDING POSITIONS. I reran that (same refmac version) but I cannot reproduce the output. a)If I select 'generate hydrogens' = HYRD ALL, then I get proper 'others' and the 'Hydrogens have been added' statement. Seems they were added and used. c)If I select 'use when in file' = HYRD YES (there are none), then the 'others' is missing as expected but the REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE REMARK 3 RIDING POSITIONS. That is odd and seems illogical? If they ARE added but NOT used, it should probably say exactly that and not the same when added AND used. Does 'added' and 'used' mean different things indeed? d) So......is 2veh refined with riding hydrogens used or not? Best, br
