Dear Robbie, I don't use ccp4 regularly (since our structures are mainly small molecule structures), but when I do, I often use pdbset. I use it to remove het-atoms, or side chains, or water molecules, or reset the B-value.
I also use sftools. I have a script for calculating Rcomplete with refmac. This script makes use of sftools in the preparation of the mtz-file. I use these tools, because they are command line tools - much faster than GUI based versions. Best wishes, Tim On Thu, 26 Aug 2021 10:29:22 +0000 Robbie Joosten <robbie_joos...@hotmail.com> wrote: > Dear CCP4 users, > > We (as in, the CCP4 developers) are investigating some (potentially) > missing functionality in CCP4i2 and/or Cloud with respect to the > programs pdbset, pdbcur, coordconv, and sftools. Some of these tools > are quite old and may need to be replaced by other tools with similar > functionality. Could you answer a few questions: > > - Do you use any of these tools? > - If so, how often? (Few times a week, month, year, or less than once > a year). > - Which functionality of program X do you use? > - Would you like a graphical interface to that functionality or are > you happy to use the command line? > > Personal example: > I use pdbset a few times a month, but only the "noise" function. I > don't need a graphical interface for it (because it is used in the > context of pdb-redo). I also use sftools, "reduce -> merge average" a > few times a year. Again, only from the command line. > > > Feel free to send your answers directly to me or to the bulletin > board if you want to start a discussion. Tips on alternative CCP4 > tools to achieve similar effects are probably also interesting for > other BB users. > > Cheers, > Robbie > > > > > ######################################################################## > > 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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