Dear Neno, when I asked the same question a few months ago, I ended up writing my own program. We used it for our study of coking in the zeolite ZSM5 (https://doi.org/10.1002/anie.202205413). It is not at all user friendly, and it reads in FCF files, rather than MTZ files. I can send you the source code nevertheless in case you are interested, or a linux binary. It is easy to create an FCF file from your MTZ file with e.g. pdb2ins and a quick run of SHELXL with 'CGLS 0'.
Best, Tim On Wed, 10 Aug 2022 09:59:55 -0400 Neno Vuksanovic <[email protected]> wrote: > Dear All, > > I would like to quantify electron density inside of positive Fo-Fc > blobs in active sites of multiple protomers in the map and compare > them. I am aware that I can interpolate maps and obtain density > values at coordinate points using either MapMan, Chimera or Coot, but > I would like to know if there is a tool that would let me designate a > sphere of a certain volume and calculate total electron density > inside it? > > Best Regards, > Neno > > ######################################################################## > > 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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