Hi Fellows,
for an experiment, I am running 0.9 A data with unrestrained Refmac (yes I know should/could use SHELXL, but let's drop that for now). When I select 'ignore even if present in file' in a PDB that has hydrogens, I get the identical results than with 'use if present' or 'generate all'. The log informs me that the instructions were properly issued, the output PDB does not have Hs, but Rs and map are exactly the same as with selection of if present or generate all H. Does not seem to make sense. If I cull the hydrogens from the input PDB and 'use if present' or 'ignore', the stats and map are different and no H in output as requested - all as expected. Maybe that can be reproduced and, if it is not a feature, fixed. 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 ------------------------------------------------------ Real knowledge is to know the extent of one's ignorance ------------------------------------------------------ ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?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/
