COSMOconf 4.1 released
COSMOconf version 4.1 was released in November 2016. The new version is available
for Windows 64bit, Linux 64bit and MacOS. The graphical user interface is being
shipped with a new Java version and new graphics library for OpenGL.
Beside some bug fixes we have implemented the following features:
General use & GUI:
-Cross-platform restart. Jobs started on the local system can be stopped and send to a remote computer and vice versa.
-An advanced add functionality allows for the use of batch jobs with multiple structure start sets.
-Improved data copy for remote batch jobs
-Flexible result set names. The new predefined result set names reflects the calculation level and can be changed by the user
-New RDKit based conformer creation
-Conformer generator interface. This interface allows for the use of user-defined conformer generators.
-A flexible TURBOMOLE method allows for the use of user-defined definition (*.def) files
-A parallel version of the CLUSTER_GEOCHECK method has been implemented