PBrestraint Distribution

Downloading the software

• Description: A software package that allows the user to use electrostatic potential calculated by APBS as a restraint in macromolecular crystallographic refinement. Implemented as a linker between APBS 0.2.2 and the refinement program CNS. This software is described in detail in Korostelev et al., "Impact of a Poisson-Boltzmann electrostatic restraint on protein structures refined at medium resolution", Acta Cryst. D , in press, 2004.
• License agreement: A Portable Document Format (pdf) copy of a license agreement that may be printed locally and returned to initiate distribution, or digitally signed and returned by e-mail. PBrestraint is distributed at no cost over the internet to not-for-profit academic institutions. A license agreement can be downloaded, signed and returned for a password to download the programs. Licenses with commercial entities are agreed on a case-by-case basis. Pending execution of a permanent license agreement, users at for-profit institutions can request temporary permission to evaluate the program by sending e-mail to the authors.
• Documentation The introductory and program manual pages that describe the program installation etc..
• Distribution: For WWW distribution, licensed users will be provided with a password so that they can copy a compressed tar file. Before clicking on pbrestraint.tar.gz be sure to set the Options of your WWW browser to Load to local disk and save the file in the parent directory where pbrestraint is to be installed. The package can then be installed with the commands gunzip pbrestraint.tar.gz; tar xvpf pbrestraint.tar. Installation details are given here.