smina Discussion

Scoring and Minimization with AutoDock Vina

Status: Beta

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Topic	Posts	Views	Last Post
smina parse error By Homry on Tue Oct 12, 2021 07:48 AM	5	297	By David Koes on Wed Mar 09, 2022 04:21 PM
Bad AUC value By Sherif Elsabbagh on Mon Oct 25, 2021 12:13 PM	6	191	By Sherif Elsabbagh on Mon Oct 25, 2021 01:00 PM
Convergence with increasing exhaustiveness By Visvaldas Kairys on Sat Dec 05, 2020 12:46 PM	9	638	By David Koes on Mon Sep 27, 2021 05:55 PM
problem with sdsorter By Sherif Elsabbagh on Sun Sep 19, 2021 02:46 PM	13	345	By David Koes on Wed Sep 22, 2021 02:48 AM
smina with flexible molecules By Gonzalo Colmenarejo on Wed Sep 15, 2021 09:45 AM	2	168	By David Koes on Wed Sep 15, 2021 06:53 PM
Modelling Electrostatic Interactions By Kevin on Mon Jun 28, 2021 07:07 PM	5	486	By Kevin on Thu Jul 01, 2021 08:56 PM
MacOSX Cannot Run By Kevin on Fri Jun 25, 2021 09:25 PM	5	488	By Kevin on Sun Jun 27, 2021 08:27 PM
Compiling smina on ARM architecture By Justin Sanders on Sat May 22, 2021 02:00 AM	4	353	By Justin Sanders on Sun May 23, 2021 05:23 PM
minimize by python By pan xiaolin on Fri May 07, 2021 03:30 PM	4	460	By David Koes on Wed May 12, 2021 02:02 PM
Docking flex By Mario JU on Wed Mar 17, 2021 05:24 PM	3	295	By Mario JU on Wed Mar 17, 2021 05:31 PM
custom terms and force field By Gabriele Palma on Thu Jan 21, 2021 11:41 AM	5	705	By Gabriele Palma on Sun Jan 24, 2021 10:45 AM
use version number or git tag instead of date for version display By Eric Deveaud on Wed Dec 09, 2020 01:51 PM	2	197	By David Koes on Wed Dec 09, 2020 11:14 PM
Small reproducibility bug inheireted from Vina By Maria Kadukova on Tue Oct 27, 2020 03:19 PM	3	278	By Maria Kadukova on Tue Oct 27, 2020 03:57 PM
Compiling on MacOS By Visvaldas Kairys on Tue Oct 20, 2020 08:29 PM	4	336	By David Koes on Wed Oct 21, 2020 12:53 PM
quadratic constraint question By Visvaldas Kairys on Fri Oct 16, 2020 09:07 PM	2	286	By David Koes on Fri Oct 16, 2020 09:17 PM
--minimize argument By Yuning Shen on Sun Sep 27, 2020 07:27 PM	4	996	By David Koes on Mon Sep 28, 2020 02:47 AM
Output autobox results By Goran Rakocevic on Mon Jan 28, 2019 01:40 PM	7	787	By David Koes on Thu Sep 24, 2020 06:58 PM
Compilation/linking issue By Rodriguez on Sun Aug 23, 2020 11:33 PM	9	933	By Rodriguez on Thu Aug 27, 2020 01:15 AM
Atom type By Fernando Davó Miralles on Fri Jul 24, 2020 04:53 PM	2	461	By David Koes on Sat Jul 25, 2020 09:11 PM
Extension of Numbers of Conformations and Configurations By Akira Suma on Wed May 27, 2020 12:16 AM	8	481	By David Koes on Thu Jul 02, 2020 08:15 PM
Double well By Fernando Davó Miralles on Tue May 12, 2020 10:20 PM	2	147	By David Koes on Tue May 12, 2020 10:48 PM
Lenard Jones potential for specific atom or between pair of atoms By Fernando Davó Miralles on Wed Apr 22, 2020 10:33 AM	14	356	By Fernando Davó Miralles on Sat May 02, 2020 10:15 AM
Compile Smina on Windows without Cygwin By Reed Benjamin Jacob on Thu Apr 23, 2020 09:46 PM	5	1513	By David Koes on Sun Apr 26, 2020 08:11 PM
Help to compile SMINA By Marcel Patek on Sun Mar 08, 2020 11:24 PM	18	1154	By Rémi Lacroix on Mon Apr 06, 2020 02:47 PM
ligand charges question By Paul Charifson on Sun Mar 22, 2020 01:02 PM	5	827	By David Koes on Sun Mar 22, 2020 05:57 PM

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