PDBCat can be used to manipulate and process PDB files using commonly available text-processing tools such as Perl, awk, etc. The Brookhaven Protein Data Bank stores atomic coordinate information for protein structures in a column-based format which is designed to be read easily read by FORTRAN programs. PDBCat converts the ATOM and HETATM records of PDB files from this column-based format to a field-based one that is more easily processed by standard Unix tools.
SODIUM places the required number of sodium ions around a (simulated) system of electric charges, e.g., the atoms of a biological macromolecule (protein, DNA, protein/DNA complex). The ions are placed in the nodes of a cubic grid in which the electrostatic energy achieves the smallest values. The energy is re-computed after placement of each ion. A simple Coulombic formula is used for the energy. The coordinates of the placed ions are printed out in the PDB format for further usage. Trivial modifications to the program should allow the placement of any combination of multivalent ions of different charges.
Wat2ions is complementary to DelPhi, the renowned solver of the Poisson-Boltzmann equation. The electrostatic potential map pre-computed by DelPhi is used to replace a certain number of the water molecules of the bath, surrounding a solvated macromolecule, with ions. The potential on the oxygens of the water molecules is estimated using a 3D cubic spline interpolation of the pre-computed potential. The waters with the largest potential are replaced with chlorides, and the waters with the smallest potential, with sodii. No two ions are placed closer than a certain distance to each other. The coordinates of the macromolecule, the water bath (except the replaced waters), and the placed ions are output to a new PDB file.
GNotary is a set of Python scripts that implement an asynchronous digital notary service. Anybody who needs certification of any digital document creates a message digest (like MD5 or RIPEMD160) of that document and submits it to the GNotary service by email. GNotary signs this email digitally (using GnuPG), retains a copy of the certified and time stamped message, and mails it back to the sender, optionally with the public key attached to allow the sender to verify the signed document. At regular intervals, the GNotary server creates message digests of its own logs and distributes them among other GNotary servers, thus making it virtually impossible to forge the chain of evidence that authenticates a submitted document.
MultiSlice RTP is a radiotherapy treatment planning and medical image processing system developed for Silicon Graphics MIPS architecture systems and the IRIX operating system (5.3 and above). It allows you to manipulate upto 20 2D CT image slices as one 3D slice and run bulk batch processing algorithms on the images loaded. Written in C and linked against the MOTIF toolkit, it also runs on Xfree/Linux/Lesstif and can load RAW CT images from a CT scanner directly.