FastROCS TK 1.10.0¶
- FastROCS TK has been optimized to yield a further ~2-3x in performance compared to the previous release. The performance improvement will vary from system to system. See more details in the OEToolkits 2019.Apr section.
Minor bug fixes¶
- GPUs in prohibited mode will now be honored when querying the number of available devices on the system. Previously, a fatal error occurred during the search.
- The example in the ShapeDatabasePrep section now defaults to a maximum of 10 conformers per molecule and saves the coordinates in half-float precision. A flag is provided to switch to full-float precision coordinates.