Of course the proper answer should be to fix dimple to read mmCIF (for which I would also recommend gemmi)
-- David On Wed, 20 Sept 2023 at 16:35, David Waterman <dgwater...@gmail.com> wrote: > gemmi convert --shorten 7qgf.cif foo.pdb > > ? > -- David > > > On Wed, 20 Sept 2023 at 15:57, Winter, Graeme (DLSLtd,RAL,LSCI) < > 00006a19cead4548-dmarc-requ...@jiscmail.ac.uk> wrote: > >> Looks like PDB files have been outlawed because mmCIF >> >> But dimple needs PDB files >> >> cif2pdb says nope >> >> Grey-Area work :( $ cif2pdb --help >> >> ***** ERROR ***** >> No cif file read on input >> >> Grey-Area work :( $ cif2pdb ~/Downloads/7qgf.cif >> >> ***** ERROR ***** >> No cif file read on input >> >> >> Grey-Area work :( $ cif2pdb CIFIN ~/Downloads/7qgf.cif >> >> ***** ERROR ***** >> No cif file read on input >> >> >> >> For someone who only used PDB files to get F^2 to validate processing, >> how best to get one *from the command line* ? >> >> Thanks Graeme >> >> >> -- >> This e-mail and any attachments may contain confidential, copyright and >> or privileged material, and are for the use of the intended addressee only. >> If you are not the intended addressee or an authorised recipient of the >> addressee please notify us of receipt by returning the e-mail and do not >> use, copy, retain, distribute or disclose the information in or attached to >> the e-mail. >> Any opinions expressed within this e-mail are those of the individual and >> not necessarily of Diamond Light Source Ltd. >> Diamond Light Source Ltd. cannot guarantee that this e-mail or any >> attachments are free from viruses and we cannot accept liability for any >> damage which you may sustain as a result of software viruses which may be >> transmitted in or with the message. >> Diamond Light Source Limited (company no. 4375679). Registered in England >> and Wales with its registered office at Diamond House, Harwell Science and >> Innovation Campus, Didcot, Oxfordshire, OX11 0DE, United Kingdom >> >> ######################################################################## >> >> 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/ >> > ######################################################################## 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/
