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MCCE2.2 and MCCE2.0 WebView

A newer version of MCCE is available on Here

To download MCCE2.2 and MCCE2.0 WebView for Linux and Mac OSX, please fill in the following information:

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Energy table handling tool - zopp:

MCCE uses a compressed file energies.opp to store energy lookup table. The tool allows you to decompress the file to a viewable format, or merge multiple partial step 3 runs.

Preconfigured run control files:

MCCE can run at various rotamer levels. The best result is achieved when a proper rotamer making and optimization strategies are seletced. Here are a few examples of "run.prm" files designed for different calculation porpose.

To use these files, copy the file to your working directory, rename the file as "run.prm" and replace MCCE_INSTALLATION with the path of your mcce program.

run.prm.quick (Last update: 08/10/2006)

run.prm.pka (Last update: 08/10/2006)

run.prm.default (Last update: 08/10/2006)

run.prm.full (Last update: 08/10/2006)

Cofactor parameter (topology) files:

MCCE relies on the parameter (tpl) file to recognize a residue or cofactor. The atoms, bonds, charges, radii, and other chemical and physical properties of a cofactor are defined in such a file, usually one file per cofator.

To include a new tpl file into your MCCE parameter directory, save the file to the MCCE installation directory under param directory of the correct dielectric constant.

Magisium ion, two ionization states (+2 charged and dummy)