Re: [ccp4bb] Superimposition save as PDB for ccp4 refmac question

2024-02-28 Thread Marco Bravo
This worked Thanks! 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

Re: [ccp4bb] Superimposition save as PDB for ccp4 refmac question

2024-02-28 Thread Harry Powell
Hi Marco You could always try the CCP4 tools (since this is the CCP4 BB…) “superpose” or “gesamt” to superpose (or is it “superimpose”? discuss…). Harry > On 28 Feb 2024, at 00:53, Marco Bravo wrote: > > Hello all, > Does anyone know how to save a superimposed pymol or chimerax session as a

Re: [ccp4bb] Superimposition save as PDB for ccp4 refmac question

2024-02-28 Thread Keitaro Yamashita
Dear Marco, > Refmac: Input coordinate file is not complete Probably the CRYST1 record (unit cell and space group information) is missing in your pdb file. You could copy this from another pdb file (and may need to correct it). Best regards, Keitaro On Wed, 28 Feb 2024 at 09:54, Marco Bravo wr

Re: [ccp4bb] Superimposition save as PDB for ccp4 refmac question

2024-02-27 Thread Nicholas Clark
Hi Marco, "Superpose" in *Coot* will also take any associated ligands along during the superposition. You can do this under "Calculate-> SSM Superpose". Be sure to check "move copy of moving structure". The one that moves will show as "copy of xxx", with xxx being the name of the one that was move

Re: [ccp4bb] Superimposition save as PDB for ccp4 refmac question

2024-02-27 Thread Rajivgandhi Sundaram
Hi Marco, You could use the 'combine' command. You could select two models in chimeraX and which will write a single pdb file. Look at the below link. https://www.cgl.ucsf.edu/chimera/docs/UsersGuide/midas/combine.html Best, Rajiv On Tue, 27 Feb, 2024, 7:54 pm Marco Bravo, wrote: > Hello all

[ccp4bb] Superimposition save as PDB for ccp4 refmac question

2024-02-27 Thread Marco Bravo
Hello all, Does anyone know how to save a superimposed pymol or chimerax session as a PDB file in correct format so that I can used it for ccp4 refmac? I am trying to superimpose a protein with DNA bound onto the same protein from a different species without the DNA. I just want the DNA from the