Dear Sam, refmac5 has the option of 'geometry optimisation', which doesn't require data. I would assume that you can ask refmac5 to write out the hydrogen atoms for the resulting PDB file.
Best regards, Tim On Wed, 29 Sep 2021 19:03:47 +0800 Sam Tang <samtys0...@gmail.com> wrote: > Dear community > > This may appear to be a silly question -- I am trying to add > hydrogens to the structure in PDB 1CDW. My initial thought is to run > a single run of refinement with a refinement program. It happens that > I cannot locate the map coefficients under the entry (am I missing > something?) So... is there an easy way to do what I want in this case? > > Warm regards > > Sam > > ######################################################################## > > 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/ -- -- Tim Gruene Head of the Centre for X-ray Structure Analysis Faculty of Chemistry University of Vienna Phone: +43-1-4277-70202 GPG Key ID = A46BEE1A ######################################################################## 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/
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