Silicos NV, a Belgian-based company providing services in the field of
computational chemistry and drug design, has released PHARAO version
3.0.0 as open source code under the terms of the GNU GPL as published
the Free Software Foundation version 2 of the License.
PHARAO is a program for the generation and alignment of pharmacophores
calculated from small drug-like molecules. Pharmacophores are
automatically generated from molecules, and include aromatic,
lipophilic, charged, hydrogen bond acceptor and donor centers
represented as Gaussian volumes. Alignment between pairs of
pharmacophores is done by optimizing the overlap volumes of the
corresponding pharmacophore Gaussians. Exclusion volumes can be taken
into account as well.
PHARAO has been written using Open Babel’s C++ API and is a command
line-driven program instructed by means of command line options.
Please visit Silicos' website at www.silicos.com for more details,
download instructions and documentation.
Kind regards,
Hans De Winter
Silicos NV
------------------------------------------------------------------------------
Start uncovering the many advantages of virtual appliances
and start using them to simplify application deployment and
accelerate your shift to cloud computing
http://p.sf.net/sfu/novell-sfdev2dev
_______________________________________________
Blueobelisk-discuss mailing list
Blueobelisk-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss