From: Jason V. <jas...@sc...> - 2011-08-11 20:20:29
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Hi Joel, That looks like it needs correcting. Please post this on the open-source tracker (http://sourceforge.net/tracker/?group_id=4546). I'll update the case there when it's fixed. Cheers, -- Jason On Wed, Aug 10, 2011 at 11:49 PM, Joel Tyndall <joe...@ot...> wrote: > Hi all, > > > > I just wanted to raise an issue a colleague pointed out recently. When you > generate an ideal peptide in the form of an alpha helix using the builder > function in Pymol, the intra-molecular H-bonds that characterise an alpha > helix (I to i+4) are too close (2.2 Angstrom O-N). If you generate such a > peptride, save it then reopen in Pymol, extra bonds are drawn between N-H > and O= indicating the close proximity. Whilst I realise Pymol is not > currently designed to “Model” structures, could this be updated. > > > > Cheers > > Joel > > > > _________________________________ > > Joel Tyndall, PhD > > Senior Lecturer in Medicinal Chemistry > National School of Pharmacy > University of Otago > PO Box 56 Dunedin 9054 > New Zealand > > Skype: jtyndall > http://www.researcherid.com/rid/C-2803-2008 > > Pukeka Matua > Te Kura Taiwhanga Putaiao > Te Whare Wananga o Otago > Pouaka Poutapeta 56 Otepoti 9054 > Aotearoa > > Ph / Waea +64 3 4797293 > Fax / Waeawhakaahua +64 3 4797034 > > > > ------------------------------------------------------------------------------ > Get a FREE DOWNLOAD! and learn more about uberSVN rich system, > user administration capabilities and model configuration. Take > the hassle out of deploying and managing Subversion and the > tools developers use with it. > http://p.sf.net/sfu/wandisco-dev2dev > _______________________________________________ > PyMOL-users mailing list (PyM...@li...) > Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users > Archives: http://www.mail-archive.com/pym...@li... > -- Jason Vertrees, PhD PyMOL Product Manager Schrodinger, LLC (e) Jas...@sc... (o) +1 (603) 374-7120 |