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PhyML is a software that estimates maximum likelihood phylogenies from alignments of nucleotide or amino acid sequences. It provides a wide range of options that were designed to facilitate standard phylogenetic analyses. The main strengths of PhyML lies in the large number of substitution models coupled to various options to search the space of phylogenetic tree topologies, going from very fast and efficient methods to slower but generally more accurate approaches. It also implements two methods to evaluate branch supports in a sound statistical framework (the non-parametric bootstrap and the approximate likelihood ratio test). PhyML was designed to process moderate to large data sets. In theory, alignments with up to 4,000 sequences 2,000,000 character-long can analyzed. In practice however, the amount of memory required to process a data set is proportional of the product of the number of sequences by their length. Hence, a large number of sequences can only be processed provided that they are short. Also, PhyML can handle long sequences provided that they are not numerous. With most standard personal computers, the "comfort zone" for PhyML generally lies around 3 to 500 sequences less than 2,000 character long.

PSI/88 Version 1.0 by W. L. Jorgensen & D. L. Severance To plot wavefunctions in three dimensions from semi-empirical and most popular ab initio basis sets. Valence semi-empirical, STO-3G, 3-21++G(*) and 6-31++G(d,p) basis sets are implemented for atoms H-Ar. On-line manual is available at this web site. You can also download the source code of psi88 from the above site as a ``psi88.tar.gz''. When you do ungzip and untar this archive, you will obtain some documents and the ``psi88.tar.Z'' file which is required at this port.

"The SEQIO package is a set of C functions which can read and write biological sequence files formatted using various file formats and which can be used to perform database searches on biological databases." - from the README file

ProtoMol is an object-oriented, component based, framework for molecular dynamics (MD) simulations. The framework supports the CHARMM 19 and 28a2 force fields and is able to process PDB, PSF, XYZ and DCD trajectory files. It is designed for high flexibility, easy extendibility and maintenance, and high performance demands, including parallelization. The technique of multiple time-stepping is used to improve long-term efficiency. The use of fast electrostatic force evaluation algorithms like Ewald, particle Mesh Ewald (PME), and Multigrid (MG) summation further enhances performance. Longer time steps are possible using MOLLY, Langevin Molly and Hybrid Monte Carlo, Nose-Hoover, and Langevin integrators. In addition, ProtoMol has been designed to interact with VMD, a visualization engine developed by the University of Illinois that is used for displaying large biomolecular systems in three dimensions. ProtoMol is freely distributed software, and the source code is available.

This package implements the Sim4 algorithm for aligning expressed DNA with genomic sequences, described in the paper: L. Florea, G. Hartzell, Z. Zhang, G. Rubin, and W. Miller (1998) "A computer program for aligning a cDNA sequence with a genomic DNA sequence." Genome Research 8, 967-974. Port maintained by the FreeBSD bio-porters mailing list.

Tinker is a set of small programs for doing general purpose molecular modeling calculations. Tools are included for energy minimizations, geometry calculations, simulated annealing, molecular dynamics, and molecular analysis calculations. Tools for converting coordinate sets are also provided. Tinker employs several force fields and minimization techniques. This port sets the maxatm value to 2500 atoms. This should be sufficient for most molecular systems. Should you need to work with larger systems you can set the maxatm parameter in the sizes.i file located in the tinker/source directory and recompile. Note that if it is set too large that tinker programs will abort and core dump. For more information about Tinker see:

Recombine fits a model which has a single population of constant size with a single recombination rate across all sites. It can accomodate either plain DNA or RNA data or SNP (single nucleotide polymorphism) data. Recombine forms part of the Lamarc (Likelihood Analysis with Metropolis Algorithm using Random Coalescence) suite. See: http://evolution.genetics.washington.edu/lamarc.html

SSAHA is a software tool for very fast matching and alignment of DNA sequences. It stands for Sequence Search and Alignment by Hashing Algorithm. It achieves its fast search speed by converting sequence information into a `hash table' data structure, which can then be searched very rapidly for matches. SSAHA: a fast search method for large DNA databases (2001). Ning Z, Cox AJ, Mullikin JC. Genome Res. 11: 1725-9. PMID: 11591649

tRNAscan-SE was written in the PERL (version 5.0) script language. Input consists of DNA or RNA sequences in FASTA format. tRNA predictions are output in standard tabular or ACeDB format. tRNAscan-SE does no tRNA detection itself, but instead combines the strengths of three independent tRNA prediction programs by negotiating the flow of information between them, performing a limited amount of post-processing, and outputting the results in one of several formats.

From the website: T-Coffee is a multiple sequence alignment package. Given a set of sequences (Proteins or DNA), T-Coffee generates a multiple sequence alignment. Related publications: - 3DCoffee: Combining Protein Sequences and Structures within Multiple Sequence Alignments. O. O'Sullivan, K Suhre, C. Abergel, D.G. Higgins, C. Notredame. Journal of Molecular Biology, Vol 340, pp385-395, 2004 - T-Coffee: A novel method for multiple sequence alignments. C.Notredame, D. Higgins, J. Heringa, Journal of Molecular Biology,Vol 302, pp205-217,2000 - COFFEE: A New Objective Function For Multiple Sequence Alignmnent. C. Notredame, L. Holme and D.G. Higgins,Bioinformatics,Vol 14 (5) 407-422,1998