Does Superpose or GESAMT align multiple structures? And can either read the NMR format and apply alignment to MODEL 1 ; MODE:L 2 etc? Eleanor
On Mon, 6 Mar 2023 at 14:53, Harry Powell < 0000193323b1e616-dmarc-requ...@jiscmail.ac.uk> wrote: > Or you could use Gesamt - also in CCP4. > > Harry > > > On 6 Mar 2023, at 13:15, Kay Diederichs <kay.diederi...@uni-konstanz.de> > wrote: > > > > 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 <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/ > > ######################################################################## > > 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/
