From: Warren D. <wa...@de...> - 2005-10-17 20:25:43
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The best way to approach this is simply to build a small molecular = object on the fly. See examples/devel/chempy_model*.py Cheers, Warren -- Warren L. DeLano, Ph.D. =20 Principal Scientist . DeLano Scientific LLC =20 . 400 Oyster Point Blvd., Suite 213 =20 . South San Francisco, CA 94080 USA =20 . Biz:(650)-872-0942 Tech:(650)-872-0834 =20 . Fax:(650)-872-0273 Cell:(650)-346-1154 . mailto:wa...@de... =20 =20 > -----Original Message----- > From: pym...@li...=20 > [mailto:pym...@li...] On Behalf Of=20 > Martin Weisel > Sent: Monday, October 17, 2005 5:03 AM > To: pym...@li... > Subject: [PyMOL] picking discrete coordinates >=20 > Hi all! =20 > I'm trying to pick a discrete coordinate outside of the=20 > loaded protein structure (something like "create name,=20 > coord[x,y,z]") to which I can apply the "around" command.=20 > Creating an additional atom as a probe would be a makeshift=20 > solution. Is there a way to use the Fragment Builder from the API?=20 > =20 > Thanks in advance, > Martin Weisel=20 > =20 > =20 > ------------- > Martin Weisel > Diploma Student > Bioinformatics Group, Frankfurt University=20 >=20 > -- > 10 GB Mailbox, 100 FreeSMS/Monat http://www.gmx.net/de/go/topmail > +++ GMX - die erste Adresse f=FCr Mail, Message, More +++ >=20 >=20 > ------------------------------------------------------- > This SF.Net email is sponsored by: > Power Architecture Resource Center: Free content, downloads,=20 > discussions, > and more. http://solutions.newsforge.com/ibmarch.tmpl > _______________________________________________ > PyMOL-users mailing list > PyM...@li... > https://lists.sourceforge.net/lists/listinfo/pymol-users >=20 >=20 >=20 >=20 |