Cepos InSilico ParaSurf™  

Pricing Structure

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).

Industrial Licenses
Industrial licenses include full support, maintenance and annual upgrades.

Academic Licenses
Academic licenses do not include support or upgrades.
Academic sales are only possible via Fax or e-mail.

ParaSurf™ Pricing Guide

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About ParaSurf™

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.


Program versions of Parasurf™

ParaSurf™ 20

ParaSurf20™ has now been released. In addition to algorithm and performance enhancements, it can now use EMPIRE™ -e.h5 HDF5 output files as input in addition to VWF and SDF files. ParaSurf20™ can now also process heterogeneous lists of input files.
The ParaSurf20™ manual is available online.

ParaSurf™ 19_A2

Revision A2 now uses the EMPIRE <Hamiltonian>.par file, rather than the Vhamil.par file, with SDF inputs.

ParaSurf™ 19

ParaSurf™ includes parallel performance enhancements, in particular for defauilt surfaces and for autocorrelations.

ParaSurf™ 12 (free academic version)

ParaSurf™ was released on September 1st 2012. This version is freely available for bona fide academic users. The program can be used with the free academic version of EMPIRE™, or with the freely available Cepos Mopac6.To register and download the program, please click here.