-
Scigress,
stylised SCiGRESS, is a
software suite designed for
molecular modeling, com****tional and
experimental chemistry, drug design, and materials...
- OpenRasMol".
Retrieved 24
September 2009.
SAMSON Connect Scigress commercial license "
Scigress". fqs.pl. 12
September 2014.
Spartan webpage Spartan Tutorial...
-
GAMESS (UK)
GAMESS (US)
Gaussian Jaguar MOLCAS MOLPRO ONETEP OpenAtom ORCA
PLATO PQS Q-Chem
Quantemol Scigress Spartan TeraChem TURBOMOLE VASP WIEN2k XMVB...
-
GAMESS (UK)
GAMESS (US)
Gaussian Jaguar MOLCAS MOLPRO ONETEP OpenAtom ORCA
PLATO PQS Q-Chem
Quantemol Scigress Spartan TeraChem TURBOMOLE VASP WIEN2k XMVB...
- Unknown
SAMSON Free C++,
Python Unknown Unknown No Unknown Unknown
Scigress Commercial C++, C, Java,
Fortran Unknown Unknown No Unknown Unknown...
-
GAMESS (UK)
GAMESS (US)
Gaussian Jaguar MOLCAS MOLPRO ONETEP OpenAtom ORCA
PLATO PQS Q-Chem
Quantemol Scigress Spartan TeraChem TURBOMOLE VASP WIEN2k XMVB...
- architecture,
modules termed SAMSON Elements Proprietary,
gratis SAMSON Connect Scigress Yes Yes Yes Yes No No Yes Yes No MM, DFT,
semiempirical methods, parallel...
- Interstage, Systemwalker,
Symfoware Server,
Glovia G2,
Glovia On Demand,
SCIGRESS Services Consulting,
Customer support,
Education Services,
Managed Services...
- available, but the
method is
implemented in ORCA, in part, in Gaussian, and in
SCIGRESS. To
obtain good results, it is
frequently necessary to fit the parameters...
- materials, etc.);
modular architecture,
modules are
termed Elements; free
Scigress Yes Yes Yes No Yes Yes Yes Yes Yes Yes Yes Yes Yes Yes
General purpose...
