See the answer last week to my query about aligning nmr structures - use Theseus . I wonder if it could be used for this task too? Eleanor
On Mon, 6 Mar 2023 at 07:35, Armando Albert <xalb...@iqfr.csic.es> wrote: > Dear all, > I want to align several structures we obtained from a fragment screening > campaign and cluster them according to RMSD. > Is MNYFIT still running? What else can I run? > Thank you > Armando > > ######################################################################## > > 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/
