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PyRx
Moderator: sargis
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[PyRx is no longer developed at MGL]
[PyRx is no longer developed at MGL]
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- Editing Out Ligands That Pyrx Can't Read
by kchemistry » Wed Dec 05, 2012 7:29 pm - 0 Replies
- 1197 Views
- Last post by kchemistry
Wed Dec 05, 2012 7:29 pm
- Editing Out Ligands That Pyrx Can't Read
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- how to cope with the liands containing triazole
by aixintiankong » Sat Nov 24, 2012 1:47 pm - 6 Replies
- 5193 Views
- Last post by sargis
Fri Nov 30, 2012 4:48 am
- how to cope with the liands containing triazole
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- autodock via PyRx
by taufiq » Fri Nov 16, 2012 1:20 pm - 3 Replies
- 2380 Views
- Last post by sargis
Wed Nov 21, 2012 9:33 pm
- autodock via PyRx
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- Changing CSV Output
by womesiete » Thu Nov 08, 2012 8:24 pm - 6 Replies
- 4391 Views
- Last post by sargis
Wed Nov 21, 2012 9:29 pm
- Changing CSV Output
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- Problems when making Aromatic Nitrogen containing ligands
1, 2
by GryderArt » Wed Aug 25, 2010 12:15 am
- 11 Replies
- 10321 Views
- Last post by GryderArt
Wed Nov 07, 2012 12:52 pm
- Problems when making Aromatic Nitrogen containing ligands
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- Installation Problem with OpenSUSE 12.2
by smolnar » Mon Oct 08, 2012 2:44 pm - 1 Replies
- 3056 Views
- Last post by sargis
Tue Oct 09, 2012 6:08 pm
- Installation Problem with OpenSUSE 12.2
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- pdbqt files
by amitsonker » Fri Sep 28, 2012 9:35 am - 1 Replies
- 2116 Views
- Last post by sargis
Fri Sep 28, 2012 2:36 pm
- pdbqt files
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- Desolvation energy
by peterk » Wed Sep 19, 2012 3:56 pm - 1 Replies
- 1865 Views
- Last post by sargis
Wed Sep 19, 2012 8:55 pm
- Desolvation energy
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- Urgent...plz help wrt docking using pyrx
by ss678 » Mon Sep 17, 2012 7:53 am - 1 Replies
- 1508 Views
- Last post by sargis
Tue Sep 18, 2012 9:18 pm
- Urgent...plz help wrt docking using pyrx
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- Problem running PyRx in Mountain Lion ios10.8
by zeromtmu » Sat Aug 25, 2012 1:03 am - 9 Replies
- 12454 Views
- Last post by sargis
Sat Sep 08, 2012 5:45 am
- Problem running PyRx in Mountain Lion ios10.8
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- Installation to Fedora17
by khigashi » Tue Jun 12, 2012 1:12 am - 3 Replies
- 3665 Views
- Last post by khigashi
Wed Sep 05, 2012 1:11 am
- Installation to Fedora17
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- PyRx problem in ubuntu 12.04
by chen » Tue Sep 04, 2012 8:45 am - 1 Replies
- 1921 Views
- Last post by sargis
Tue Sep 04, 2012 6:51 pm
- PyRx problem in ubuntu 12.04
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- importerror: no module named wx
by manish_bits » Tue Aug 28, 2012 9:02 am
- 3 Replies
- 2984 Views
- Last post by sargis
Fri Aug 31, 2012 8:45 pm
- importerror: no module named wx
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- problem in PyRx
by chen » Thu Aug 30, 2012 2:29 am - 1 Replies
- 2599 Views
- Last post by sargis
Thu Aug 30, 2012 9:22 pm
- problem in PyRx
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- how to change no of runs of vina in pyrx
by sidra » Tue Aug 28, 2012 9:01 am - 1 Replies
- 1631 Views
- Last post by sargis
Tue Aug 28, 2012 5:20 pm
- how to change no of runs of vina in pyrx
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- After vitrual screening how to choose the best ligands
by bmaiti » Tue Aug 28, 2012 2:59 am - 1 Replies
- 2147 Views
- Last post by sargis
Tue Aug 28, 2012 4:54 pm
- After vitrual screening how to choose the best ligands
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- PyRx installation
by amitsonker » Sat Aug 25, 2012 1:14 pm
- 2 Replies
- 2269 Views
- Last post by amitsonker
Tue Aug 28, 2012 8:51 am
- PyRx installation
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- Problem running PyRx in 64 bit machine
by alfredoq » Tue Aug 07, 2012 7:09 pm - 4 Replies
- 4478 Views
- Last post by alfredoq
Thu Aug 09, 2012 11:09 am
- Problem running PyRx in 64 bit machine
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- Execution Failure
by Syed Aun » Fri Jun 17, 2011 10:52 pm
- 7 Replies
- 8935 Views
- Last post by sargis
Sat Jul 28, 2012 11:20 pm
- Execution Failure
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- Docking multiple ligands in PyRx
by silvergirl » Wed Apr 25, 2012 11:12 am - 8 Replies
- 27919 Views
- Last post by sargis
Fri Jul 13, 2012 9:47 pm
- Docking multiple ligands in PyRx
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- pyrex hanged during coversion from sdf to pdbqt
by uzma » Fri Jul 06, 2012 9:24 pm - 1 Replies
- 1981 Views
- Last post by sargis
Fri Jul 06, 2012 9:39 pm
- pyrex hanged during coversion from sdf to pdbqt
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- Feature - MOPAC Charges
by alesser » Thu Apr 07, 2011 4:29 am - 5 Replies
- 10090 Views
- Last post by Douglas Houston
Fri Jun 29, 2012 5:11 pm
- Feature - MOPAC Charges
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- installation to openSUSE 12.1
by chris_irwin » Thu Jun 21, 2012 6:45 pm - 5 Replies
- 6840 Views
- Last post by sargis
Fri Jun 22, 2012 11:49 pm
- installation to openSUSE 12.1
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- Flexible residues docking in Pyrx0.8
1, 2 by saharinku » Wed Jun 13, 2012 1:39 pm
- 10 Replies
- 7264 Views
- Last post by sargis
Tue Jun 19, 2012 8:41 pm
- Flexible residues docking in Pyrx0.8
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- Reset the Pyrx to point to locally installed Autodock.
by saharinku » Wed Jun 13, 2012 1:47 pm - 2 Replies
- 1703 Views
- Last post by saharinku
Thu Jun 14, 2012 8:33 pm
- Reset the Pyrx to point to locally installed Autodock.
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