id	summary	reporter	owner	description	type	status	priority	milestone	component	version	resolution	keywords	cc	blockedby	blocking	notify_on_close	platform	project
16074	Add command to measure molecular weight of specified molecules	jschaefer@…	Tom Goddard	"Jan asked for a command to measure the molecular weight of a specified set of atoms.  He does not need to take account of missing parts of structure, just wants to measure how much of an atomic model has been built compared to the weight reported by say UniProt for the sequence.


Dear Elaine, 

thanks for the detailed response. About adding the Mw readout to the measure function: getting the exact Mw of the atomic model shown would be the point. Oftentimes, sequences differ from the native (Uniprot) sequence. A simple command like <measure mw #1> for the entire model after addh would be great. How about including the already existing molmass (https://pypi.org/project/molmass/) into ChimeraX. Thanks again for helping.

Best, Jan


Hi Tom, Elaine,

That is what I had in mind. Given how often we need to compare the resolved/built protein region (amino acids only) vs. the UniProt entry, a quick way to get the Mw in ChimeraX would be great.

Best, Jan"	enhancement	closed	moderate		Structure Analysis		fixed		Elaine Meng				all	ChimeraX