Without patches, people should be able to pipe the output through
babel such that Geoff's original command would be obminimize ... |
babel -ipdb out.mol2
/Fredrik
14 okt 2009 kl. 16.22 skrev Geoffrey Hutchison:
On Oct 12, 2009, at 2:00 AM, [email protected] wrote:
But the terminal output geometry from obminimize is always in PDB
format, isn't it?!
Good point. :-)
I'm happy to add an output format flag to obminimize. If people want
patches, I'd be glad to send them -- but it otherwise wouldn't be
incorporated until the next release.
-Geoff
------------------------------------------------------------------------------
Come build with us! The BlackBerry(R) Developer Conference in SF, CA
is the only developer event you need to attend this year. Jumpstart
your
developing skills, take BlackBerry mobile applications to market and
stay
ahead of the curve. Join us from November 9 - 12, 2009. Register now!
http://p.sf.net/sfu/devconference
_______________________________________________
OpenBabel-discuss mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
------------------------------------------------------------------------------
Come build with us! The BlackBerry(R) Developer Conference in SF, CA
is the only developer event you need to attend this year. Jumpstart your
developing skills, take BlackBerry mobile applications to market and stay
ahead of the curve. Join us from November 9 - 12, 2009. Register now!
http://p.sf.net/sfu/devconference
_______________________________________________
OpenBabel-discuss mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
