[Chimera-users] importing xyz file

Eric Pettersen pett at cgl.ucsf.edu
Wed Jan 13 10:03:32 PST 2016

> On Jan 13, 2016, at 9:58 AM, Elaine Meng <meng at cgl.ucsf.edu> wrote:
> (1) after reading in the XYZ file, add bonds manually yourself, for example, select two “atoms” (Ctrl-click, Shift-Ctrl-click) and then use command “bond sel”.  Repeat.  This could be tedious if you have a lot of bonds to add.  You could also use atom names instead of selecting, for example “bond @c1,c2”.  Although the XYZ file doesn’t contain atom names, “atoms” of the same “element” will be named in Chimera according to element with a sequential number appended (the first C is named C1, the second C is named C2, etc.).
> <http://www.rbvi.ucsf.edu/chimera/docs/UsersGuide/xyz.html <http://www.rbvi.ucsf.edu/chimera/docs/UsersGuide/xyz.html>>

And the above could be combined into a script, e.g.:

open myfile.xyz
bond @c1,c2
bond @c1,c7

That script file could then be opening with a single command in Chimera:  “open myscript.cmd”.


	Eric Pettersen
	UCSF Computer Graphics Lab

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://plato.cgl.ucsf.edu/pipermail/chimera-users/attachments/20160113/d8e910a7/attachment.html>

More information about the Chimera-users mailing list