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Commit 596f6b80 authored by Easy Build's avatar Easy Build
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Wed, 28 Aug 2019 10:45:03 +0200

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......@@ -1977,6 +1977,7 @@ Trilinos/12.12.1-intel-2017c-Py-2.7,2
Trimmomatic/0.35-Java-1.7.0_79,2
TRIQS/1.4.1-gompi-2019.02,2
TRIQS/2.0-gompi-2019.02,2
TURBOMOLE/7.4.0,2
turbovnc/1.2.3,2
Ubuntu/16.04,2
Ubuntu/16.04-OpenFOAM,2
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......@@ -62,6 +62,7 @@
| [S4MPLE](http://infochim.u-strasbg.fr/spip.php?rubrique152) | S4MPLE (Sampler For Multiple Protein-Ligand Entities) is a flexible molecular modeling tool, supporting empirical force field-driven conformational sampling and geometry optimization heuristics using a hybrid genetic algorithm (GA). |
| [Schrodinger](http://www.schrodinger.com/) | Schrödinger aims to provide integrated software solutions and services that truly meet its customers’ needs. We want to empower researchers around the world to achieve their goals of improving human health and quality of life through advanced computational techniques that transform the way chemists design compounds and materials. |
| [Scipion](https://github.com/I2PC/scipion/wiki) | Scipion is an image processing framework for obtaining 3D models of macromolecular complexes using Electron Microscopy (3DEM). It integrates several software packages and presents a unified interface for both biologists and developers. Scipion allows you to execute workflows combining different software tools, while taking care of formats and conversions. Additionally, all steps are tracked and can be reproduced later on. |
| [TURBOMOLE](https://redmine.sgi.cz/issues/1296) | TURBOMOLE is a quantum chemical program package, initially developed in the group of Prof. Dr. Reinhart Ahlrichs at the University of Karlsruhe and at the Forschungszentrum Karlsruhe. Until 2007 the main development of the program was conducted by students and postdoctoral researchers in the group of Ahlrichs, who usually changed their field of work after leaving the group. Therefore, the code was well localized at and, consequently, owned by the University of Karlsruhe. However, since 2007 the situation has changed. Several people, who started their work with TURBOMOLE in Karlsruhe, still make significant contributions and feel responsible for the program, but do no longer reside in Karlsruhe. It was thus necessary to arrange the development of TURBOMOLE in a different manner, namely as a company. |
| [xdrfile](http://www.gromacs.org/Developer_Zone/Programming_Guide/XTC_Library) | XTC library |
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