Dear Armando, besides THESEUS, you could use SUPERPOSE (in CCP4) or USalign (https://zhanggroup.org/US-align/). In my tests, THESEUS sometimes crashed in different ways. USalign is very robust; SUPERPOSE is fast.
HTH, Kay On Mon, 6 Mar 2023 08:35:20 +0100, Armando Albert <[email protected]> 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/
