id	summary	reporter	owner	description	type	status	priority	milestone	component	version	resolution	keywords	cc	blockedby	blocking	notify_on_close	platform	project
872	Add chirality property to atoms	Tristan Croll	Eric Pettersen	Apologies if this already exists, but I can't find anything in the documentation or in the Atoms API. Chemical Components Dictionary residue entries include the field _chem_comp_atom.pdbx_stereo_config (http://mmcif.wwpdb.org/dictionaries/mmcif_pdbx.dic/Items/_chem_comp_atom.pdbx_stereo_config.html) to mark chiral centres. It would be great if this could be carried through to ChimeraX's atom properties. Incorrect chirality is not that uncommon (especially in older structures, and particularly in sugars) so it's important to be able to check all chiral centres. Also, standard MD forcefields make no attempt to explicitly restrain chirality, relying on a good starting geometry and a high energy barrier to prevent flipping. That's not really good enough for my purposes - I'm going to need to add chirality restraints (which isn't actually particularly hard, once I have an easy way of getting the list of centres and their expected states).	enhancement	closed	major		Structure Analysis		fixed		Greg Couch				all	ChimeraX