﻿id	summary	reporter	owner	description	type	status	priority	milestone	component	version	resolution	keywords	cc	blockedby	blocking	notify_on_close	platform	project
10392	Add a command to set the sequence for an atomic model chain	matthias.vorlaender@…	Eric Pettersen	"Want a way to set the full sequence of chains in an atomic model, even for residues that have no coordinates so they can be written into mmCIF and PDB files for depositing in the PDB database.


From: Vorländer,Matthias Kopano via ChimeraX-users <chimerax-users@cgl.ucsf.edu>
Subject: [chimerax-users] Re: How to save a sequence in an mmCIF file?
Date: December 21, 2023 at 5:33:38 AM PST
To: ChimeraX Users Help <chimerax-users@cgl.ucsf.edu>
Reply-To: Vorländer,Matthias Kopano

Hi everyone,
 
I also just struggled with the demands of CIF file deposition to the PDB for a ~50 chain RNA-protein complex and the time it takes to copy-paste sequence into different web interfaces. Would it be possible to interface the ChimeraX sequence association functionalities to write the associated sequence into the mmCIF file? At the end of building large models using many cryo-EM maps the structures often have been cut apart and pieced together many times, so my dream scenario would be to use “alpafold match #model trim false“ to directly write the full-length sequence of the alphafold model into the mmcif file  or PDB header for the matches chain. Would be of huge value for PDB deposition!
 
Many thanks and best wishes,
Matthias"	enhancement	closed	moderate		Sequence		duplicate		Greg Couch Tom Goddard guillaume.gaullier@… Elaine Meng Tristan Croll				all	ChimeraX
