Discngine is please to release Chemistry Collection 1.0.3, Data Graph 1.0b and Utilities 1.0.3. This release is mandatory for Pipeline Pilot 8.0.
Please download installation packages from our web site www.discngine.net
All packages come with a demo license until October 31st.
Release Notes :
Discngine Chemistry (v1.0.3)
- Improved compatibility with Pipeline Pilot 8.0
- Improved parallelizability of Pharmacophore Graph computation
- Molecular fragmentation now export fragment smiles with or without attachment point atom types
- Utilities have been moved to separate collection
Discngine Network (b0810)
- Improved compatibility with Pipeline Pilot 8.0
- minor bug corrections
- implemented HyperGraph (0.6.3) viewer (sourceforge.hypergraph.org) – require Java JRE 1.6.x
- implemented Flare viewer and event listeners (flare.prefuse.org)
Discngine Utilities (v1.0.3 - free collection)
- this collection is required to run some of the chemistry and network example protocols.
- Added two components: define color on property and data record stack
Install/Upgrade procedure
- Download necessary archive files from www.discngine.net: (make sure to install Discngine Utilities with Chemistry or Network collections)
o discngine_chemistry_1.0.3.zip (includes Pharmacophore Graph)
o discngine_datagraph_1.0b0810.zip (includes GraphViz, HperGraph and Flare viewers)
o discngine_utilities_1.0.3.zip
- Copy archive files into scitegic_root/apps
- Uninstall previous Chemistry, Network, Utilities and Hypergraph collections:
On Pipeline Pilot 7.x
“C:\Program Files\Accelrys\SES\bin\pkgutil.exe” -u discngine
On Pipeline Pilot 8.x
“C:\Program Files\Accelrys\PPS\bin\pkgutil.exe” -u discngine
- Back previous packages: rename apps/discngine apps/discngine.backup
- Unzip each archive into scitegic_root/apps
- Copy dicngine chemistry license file from backup location (except demo license file)
copy apps/discngine.backup/discngine/chemistry/package.conf into apps/discngine/discngine/chemistry
- Install all collections together:
On Pipeline Pilot 7.x
“C:\Program Files\Accelrys\SES\bin\pkgutil.exe” -i discngine
On Pipeline Pilot 8.x
“C:\Program Files\Accelrys\PPS\bin\pkgutil.exe” -i discngine
- If you had Discngine Spotfire Connector installed on your server,
o copy apps/discngine.backup/discngine/spotfireconn into apps/discngine/discngine
o install spotfire connector: “C:\Program Files\Accelrys\SES\bin\pkgutil.exe” -i discngine/spotfireconn
- Complete your server installation with GraphViz
o Download GraphViz from http://www.graphviz.org/Download_windows.php (tested with version 2.26.3)
o Install GraphViz as suggested on www.graphviz.org
o Create a global variable on the Pipeline Pilot Server named “GraphViz Bin Folder”, set its value to the full path to Graphviz binary folder (e.g. C:\Program Files\Graphviz2.26.3\bin)
