Pricing Structure

Cepos 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 Internet or by Fax.

ParaSurf™ Pricing Guide Prices are for software leasing for one year.

No. of Tokens	Industrial	Academic
1	£10,000	£1000
2	£15,000	£1500
4	£20,000	£2000
8	£25,000	£2500
16	£30,000	£3000
32	£35,000	£3500
64	£40,000	£4000
128	£45,000	£4500
Unlimited	£50,000	£5000

Ordering ParaSurf™

To order ParaSurf™ please use one of the following forms:

User Manuals for ParaSurf™

Available as a download in pdf format.

ParaSurf™ 09 B1 User Manual (1.37Mb)

About ParaSurf™

ParaSurf™ is the basis module that uses output from a semi-empirical molecular orbital program like Cepos Mopac 6 or VAMP to construct molecular surfaces and calculate local properties and discriptors. 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.

ParaSurf™ 09 Revision B1 released

Cepos InSilico is pleased to announce the release of ParaSurf´09, revision B1. We are distributing this intermediate for two reasons:

We have discovered a small error in the calculation of the descriptors based on the electrostatic field normal to the surface. This has been fixed in the B1 version.
We have made atomic descriptors relevant to recently published reactivity models explicitly available in the SDF output in revision B1, rather than wait for ParaSurf’10.

Customers ParaSurf’09 Revision B1 automatically.

What's new in ParaSurf™ 09

Spherical-harmonic Fitting Performance Enhancements
The algorithm used to fit spherical-harmonic expansions to shrink-wrapped surfaces has been optimized in ParaSurf™ 09. Fitting is nearly twice as fast as in ParaSurf™ 08.

Calculation Option
ParaSurf™ can now calculate the dependence of the spherical harmonic fit on the position of the molecular center. This allows ParaFit™ to translate molecules as well as rotate them when overlaying.

Electrostatic Field Property
The electrostatic field normal to the surface has been introduced as a new property in ParaSurf™ 09.

Improved Error Handling
ParaSurf™ 09 now exits cleanly for each failed molecule and proceeds to the next when processing multi-molecule SDF files.

Failsafe Procedure for Molecular Centers
New procedure application that finds a suitable center for almost all molecules.