Re: [PyMOL] Show all residues forming H-bonds

2014-10-16 Thread Markus Heller
k but I'll need to refine it ;-) Cheers Markus From: Sampson, Jared [mailto:jared.samp...@nyumc.org] Sent: Thursday, October 16, 2014 6:36 AM To: Markus Heller Cc: pymol-users@lists.sourceforge.net Subject: Re: [PyMOL] Show all residues forming H-bonds Hi Markus -  First, you need

Re: [PyMOL] Show all residues forming H-bonds

2014-10-16 Thread Sampson, Jared
rge.net<mailto:pymol-users@lists.sourceforge.net> Subject: Re: [PyMOL] Show all residues forming H-bonds Actually, an even better option is Thomas' polarpairs.py script: http://www.pymolwiki.org/index.php/Polarpairs, which considers the H-bond angle as well as distance. Apologies for th

Re: [PyMOL] Show all residues forming H-bonds

2014-10-15 Thread Markus Heller
e.net Subject: Re: [PyMOL] Show all residues forming H-bonds Actually, an even better option is Thomas' polarpairs.py script:  http://www.pymolwiki.org/index.php/Polarpairs, which considers the H-bond angle as well as distance. Apologies for the multiple emails, but I hope that is clos

Re: [PyMOL] Show all residues forming H-bonds

2014-10-10 Thread Markus Heller
Friday, October 10, 2014 3:33 PM To: Markus Heller Subject: Re: [PyMOL] Show all residues forming H-bonds Hi Markus - Under the GUI “action” menu A > find > polar contacts, you’ll find several options which will create a new object with all the specified distances as dashes.

Re: [PyMOL] Show all residues forming H-bonds

2014-10-10 Thread Sampson, Jared
o:jared.samp...@nyumc.org] Sent: Friday, October 10, 2014 3:33 PM To: Markus Heller Subject: Re: [PyMOL] Show all residues forming H-bonds Hi Markus - Under the GUI “action” menu A > find > polar contacts, you’ll find several options which will create a new object with all the specified distances

Re: [PyMOL] Show all residues forming H-bonds

2014-10-10 Thread Sampson, Jared
Markus Heller Subject: Re: [PyMOL] Show all residues forming H-bonds Hi Markus - Under the GUI “action” menu A > find > polar contacts, you’ll find several options which will create a new object with all the specified distances as dashes. This is also available with `distance` com

Re: [PyMOL] Show all residues forming H-bonds

2014-10-10 Thread Markus Heller
7;s clearer now what I'm after ... Cheers M From: Sampson, Jared [mailto:jared.samp...@nyumc.org] Sent: Friday, October 10, 2014 3:33 PM To: Markus Heller Subject: Re: [PyMOL] Show all residues forming H-bonds Hi Markus - Under the GUI "action" menu A > find > polar contacts

[PyMOL] Show all residues forming H-bonds

2014-10-09 Thread Markus Heller
Hello list, subject says it all. The 2 options I came across search the www are: http://sourceforge.net/p/pymol/mailman/message/7562444/http://sourceforge.net/p/pymol/mailman/message/7562444/ and DistancesRH (http://www.pymolwiki.org/index.php/DistancesRH)http://www.pymolwiki.org/index.php/Dis