Re: [PyMOL] Script for Torsion angles

2011-09-10 Thread Martin Hediger
Great page. Good to know. Thanks all for the feedback. Martin Am 06.09.11 16:17, schrieb Robert Immormino: > Martin, > > If you end up wanting to do this a lot then it might be worth looking > into Dangle ( http://kinemage.biochem.duke.edu/software/dangle.php ). > This is one of the tools fro

Re: [PyMOL] Script for Torsion angles

2011-09-06 Thread Jason Vertrees
Hi all, > If you end up wanting to do this a lot then it might be worth looking > into Dangle ( http://kinemage.biochem.duke.edu/software/dangle.php ). > This is one of the tools from the Richardson Lab which allows quick > output of various bond length, angle, torsion and plane measurements. Rob

Re: [PyMOL] Script for Torsion angles

2011-09-06 Thread Robert Immormino
Martin, If you end up wanting to do this a lot then it might be worth looking into Dangle ( http://kinemage.biochem.duke.edu/software/dangle.php ). This is one of the tools from the Richardson Lab which allows quick output of various bond length, angle, torsion and plane measurements. -bob On Fr

Re: [PyMOL] Script for Torsion angles

2011-09-05 Thread Vivek Ranjan
om: Martin Hediger [mailto:ma@bluewin.ch] > Sent: Friday, 2 September 2011 9:49 p.m. > To: pymol-users > Subject: [PyMOL] Script for Torsion angles > > Dear List > Does anyone have a script to calculate torsion angles lying around? > Ideally, i would like to be able to ente

Re: [PyMOL] Script for Torsion angles

2011-09-05 Thread Joel Tyndall
   +64 3 4797293 Fax / Waeawhakaahua +64 3 4797034 -Original Message- From: Martin Hediger [mailto:ma@bluewin.ch] Sent: Friday, 2 September 2011 9:49 p.m. To: pymol-users Subject: [PyMOL] Script for Torsion angles Dear List Does anyone have a script to calculate torsion angles lying arou

Re: [PyMOL] Script for Torsion angles

2011-09-03 Thread Sean Law
If you find that get_dihedral is slow then you can try using the code from pucker.py which contains a section on calculating dihedrals for the nucleotide sugar pucker: http://pymolwiki.org/index.php/Pucker Sean

Re: [PyMOL] Script for Torsion angles

2011-09-02 Thread Thomas Holder
Hi Martin, http://pymolwiki.org/index.php/Get_Dihedral Cheers, Thomas On 09/02/2011 11:48 AM, Martin Hediger wrote: > Dear List > Does anyone have a script to calculate torsion angles lying around? > Ideally, i would like to be able to enter x1, x2, x3, x4 and get the > (smaller) angle betwee

[PyMOL] Script for Torsion angles

2011-09-02 Thread Martin Hediger
Dear List Does anyone have a script to calculate torsion angles lying around? Ideally, i would like to be able to enter x1, x2, x3, x4 and get the (smaller) angle between the two normals of the planes defined by x1, x2, x3 and x2, x3, x4, respectively. For some odd reason the measurment wizard i