Dear all, Following the advice provided by Paul and Yi Min, the "Symm Shift Reference Chain Here" function has proven successful!
I am deeply grateful for your guidance. Best regards, Xin ________________________________ From: zx2...@connect.hku.hk <zx2...@connect.hku.hk> Sent: 16 February 2024 17:26 To: Paul Emsley <pems...@mrc-lmb.cam.ac.uk> Subject: Re: [ccp4bb] Coot SSM Superpose Problem Dear Paul, I apologize for the confusion in my previous description. To clarify, there are actually 4 copies within a single ASU. Following your suggestion, I tried the "Symm Shift Reference Chain Here" , and it worked successfully. I greatly appreciate your assistance. Thank you so much! Best regards, Xin ________________________________ From: Paul Emsley <pems...@mrc-lmb.cam.ac.uk> Sent: 16 February 2024 11:06 To: zx2...@connect.hku.hk <zx2...@connect.hku.hk>; CCP4BB@JISCMAIL.AC.UK <CCP4BB@JISCMAIL.AC.UK> Subject: Re: [ccp4bb] Coot SSM Superpose Problem On 16/02/2024 01:45, zx2...@connect.hku.hk<mailto:zx2...@connect.hku.hk> wrote: Dear all, Hello Xin, I encountered an issue while attempting to calculate the RMSD between two PDB files (each containing 4 ASUs) do they really though? using the SSM Superpose tool in Coot. Unfortunately, the tool was unable to superpose all ASUs accurately. That's because you have mismatched bundles. It seem to me that you need some "Symm Shift Reference Chain Here" action. Paul. ######################################################################## 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/
