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-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1 Hi Bernhard, You can ask refmac to output the hydrogens. Go to: Refinement -> Run Refmac5 Select "Do -> structure idealisation" And then in "Idealisation parameters": "Use hydrogen atoms -> generate all hydrogens" and don't forget to tick the radio button for "and output to coordinate file" It takes one minute. Cheers, Miguel En/na Bernhard Rupp ha escrit: > *** For details on how to be removed from this list visit the *** > *** CCP4 home page http://www.ccp4.ac.uk *** > > > Wonder if there is a way to 'generate hydrogens' in the > coordinate utilities via the ccp4i interface > (aka hgen program) ? > Remove I could find. > > best, br > > Btw, > http://www.ccp4.ac.uk/examples/unix/runnable/hgen.exam > gives a 404. > > -------------------------------------------- > Bernhard Rupp > www.ruppweb.org > -------------------------------------------- > > > - -- Miguel Ortiz Lombardía Centro de Investigaciones Oncológicas C/ Melchor Fernández Almagro, 3 28029 Madrid, Spain Tel. +34 912 246 900 Fax. +34 912 246 976 e-mail: [EMAIL PROTECTED] - ---------------------------------------------------------------------- Et ainsi ne pouvant faire que ce qui est juste fût fort, on a fait que ce qui est fort fût juste. Blaise Pascal, Pensées -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.5 (Darwin) iD8DBQFFd8qLF6oOrDvhbQIRAh5PAKCdDz5mCQnHkiUwBkz/0dJebTAcyQCgg3Gh 4c/RPVaY8YfXnSPyfXRl/hU= =nDlG -----END PGP SIGNATURE-----
