Cepos Insilico applications such as ParaSurf™ use a token licensing system. One application per token may run at any one time. CeposLM™ is installed on a central license server that must be available to all licensed users. (This may be your PC hardrive if you only have a single-user license).
Prices are for software leasing for one year for industry respectively for a site license for academic users.
ParaSurf™ is the basis module that uses output from a semi-empirical molecular orbital program like VAMP or EMPIRE™ to construct molecular surfaces and calculate local properties and descriptors. Surfaces may be generated by shrink-wrap or marching-cube algorithms and the former may be fit to a spherical harmonic series. ParaSurf™ was originally introduced in 2005.
ParaSurf™ can also generate local enthalpies and free energies of solvation and integrate them over the entire molecular surface. The application has the ability to read Surface-Integral Model (SIM) files that allow it to calculate properties such as the enthalpy and free energy of hydration plus the free energies of solvation in n-octanol and chloroform.
The newest version of ParaSurf™ was released on September 1st and will be delivered to existing customers before the end of the month. The ParaSurf’12™ Users’ Manual is available online.
ParaSurf™ 11 was released on July 1st 2011. It includes a new, faster and improved surface-autocorrelation facility and the latest generation of binned surface-integral models for logP in addition to many detail improvements over ParaSurf’10™.
Cepos InSilico Ltd. is now making a restricted version of ParaSurf’10™ freely available for bona fide academic users. The program provides a large subset of the full ParaSurf’10™ functionality and can be used with the free academic version of EMPIRE™, or with the freely available Cepos Mopac6. The ParaSurf’10™ Academic Version Users’ Manual defines the functionality of the free version. To register and download the program, please click here.