Hello, there is for exemple the "addh" command in chimerax to add hydrogens to a structure. Wim
De: "Mark J. van Raaij" <mjvanra...@cnb.csic.es> À: "CCP4BB" <CCP4BB@JISCMAIL.AC.UK> Envoyé: Mercredi 29 Septembre 2021 13:11:24 Objet: Re: [ccp4bb] Add hydrogens Dear Sam, 1CDW is from 1996, when it was not obligatory (or common practice) to upload structure factors to the PDB. So I think you can't do any refinement, just perhaps some optimisation. Mark J van Raaij Dpto de Estructura de Macromoleculas, lab 20B Centro Nacional de Biotecnologia - CSIC calle Darwin 3 E-28049 Madrid, Spain tel. +34 91 585 4616 (internal 432092) Section Editor Acta Crystallographica F [ https://journals.iucr.org/f/ | https://journals.iucr.org/f/ ] On 29 Sep 2021, at 13:03, Sam Tang < [ mailto:samtys0...@gmail.com | 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 | https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 ] To unsubscribe from the CCP4BB list, click the following link: [ https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 | https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 ] -- Wim Burmeister Professor Institut de Biologie Structurale (IBS) CIBB 71 avenue des Martyrs / CS 20192 38044 Grenoble Cedex 9, FRANCE E-mail: [ mailto:wim.burmeis...@ibs.fr | wim.burmeis...@ibs.fr ] Mobile: +33 (0) 7 50 49 19 91 [ http://www.ibs.fr/research/research-groups/viral-replication-machines-group-m-jamin/team-03/article/poxvirus-replication-machinery-presentation/ | website ] Changement climatique : «Les autres combats n’ont aucun sens si celui-là est perdu» ( Aurélien Barrau ) ######################################################################## 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/
