[Chimera-users] Using Chimera to read SMILES string into structure
Elaine Meng
meng at cgl.ucsf.edu
Thu Sep 3 10:46:25 PDT 2009
Hi Miriam,
Are you on a Mac? I'm using a Mac and was able to copy text from
Terminal and paste it into both those places. The copy/paste
procedure depends on your platform. Using the Mac aqua version, I
highlighted text in Terminal and pressed command-c to copy, then to
paste, I clicked into the blank dialog text area and pressed command-
v. Using the Mac X11 version, I used the same copying procedure but
then to paste, clicked into the blank dialog text area and then
clicked middle mouse button. On Windows, copy and paste may be Ctrl-c
and Ctrl-v.
You can also get SMILES->3D from the Chimera command line, e.g.
open smiles:C1CCC(O)CC1
and the copy/paste procedure there is the same, but again platform-
dependent.
I hope this helps,
Elaine
-----
Elaine C. Meng, Ph.D.
UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab
Department of Pharmaceutical Chemistry
University of California, San Francisco
On Sep 1, 2009, at 3:09 PM, Miriam Gochin wrote:
> I have downloaded the latest build (Aug 30, 2009) and don't seem to
> be able to input a SMILES string. I have tried both the Utilities -
> > Structure Diagram and the Structure Editing -> Build Structure
> tool, and in both cases I can see a box to input the SMILES string,
> but the copy and paste mechanism won't work. I can enter text in
> the box, but cannot paste it in, which I need to do. Thanks for
> your help.
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