Dear Martin, it is my understanding that the Cruickshank DPI calculation is based on the assumption of diffraction data without error. In other words, the discrepancy between Fcalc and Fobs is attributed solely to model errors. As a consequence, the DPI coordinate error estimate is on the high side.
A more useful estimate, in my eyes, of coordinate precision is to shake the coordinates after convergence of refinement, and re-refine. Do that a couple of times and determine the rms differences of atom positions. This will show high precision (low rms) for buried residues with low B-value, and conversely for surface residues. Best wishes, Kay On Mon, 10 Nov 2025 17:32:09 +0000, Martin Malý <[email protected]> wrote: >Dear colleagues, >I would like to use the Online DPI server as well... Isn't there please >any update regarding its availability? >Best regards, >Martin > >On 29/08/2025 13:35, [email protected] wrote: >> Dear BB, >> >> Is the Cruikshank DPI server (cluster.physics.iisc.in/dpi/) still >> available? I have struggled to connect recently via the link in the >> original manuscript >> (https://doi.org/10.1107/S1600576715006287)<https://doi.org/10.1107/S1600576715006287)>or >> the alternative posted to the BB by Prof. Helliwell about 1 year ago >> (24/08/24). >> >> Thanks, >> Steve >> >> Dr Stephen Carr >> Research Complex at Harwell (RCaH) >> Rutherford Appleton Laboratory >> Harwell Oxford >> Didcot >> Oxon OX11 0FA >> United Kingdom >> Email [email protected] >> tel 01235 567717 >> This email 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 authorized 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 this email. Any views or opinions presented are >> solely those of the author and do not necessarily represent those of >> the Research Complex at Harwell. There is no guarantee that this email >> 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. We use an >> electronic filing system. Please send electronic versions of >> documents, unless paper is specifically requested. This email may have >> a protective marking, for an explanation, please see: >> http://www.mrc.ac.uk/About/informationandstandards/documentmarking/index.htm. >> ------------------------------------------------------------------------ >> >> 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 > >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/
