Hi Fellows,
Q for the Refmac cognosci: Just curious: If I run unrestrained anisotropic refi on 1 A data, some barely supported ligands display insane and physically impossible ADPs, worthy of the ORTEP of the century. As cigars penetrate discs, it seems that Hirschfeld criteria on aniso ADPs are violated. Are they also turned off when I select unrestrained - they should remain in effect regardless of how bad or unsupported my atoms are? Do I need to change/adjust/optimize the RBON/RIGU keywrd? Best, BR ------------------------------------------------------ Bernhard Rupp <http://www.hofkristallamt.org/> http://www.hofkristallamt.org/ <mailto:b...@hofkristallamt.org> b...@hofkristallamt.org +1 925 209 7429 +43 676 571 0536 ------------------------------------------------------ Many plausible ideas vanish at the presence of thought ------------------------------------------------------ ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
