MMB 2.19 – Model the Structure and Dynamics of Macromolecules

MMB 2.19

:: DESCRIPTION

MMB (a contraction of MacroMolecule Builder) was previously known as RNABuilder. The latter is available up to revision 2.2. We renamed the software since even some longtime users were unaware that the package now handles protein as well as RNA. Aside from the renaming, MMB 2.3 differs from RNABuilder 2.2 in two important ways. Release 2.3 has fully overhauled guts. It uses the BiopolymerClassContainer, a much cleaner programming construct which will make future upgrades and extensions more efficient. As of release 2.3.4, we link against new Molmodel binaries which have more efficient tracking of atoms in rigid regions. This yields a two-fold speed improvement and four-fold lower memory requirement for many problems. Also in this release, some rarely used features have been removed, but these were never in the tutorial literature so their absence should go largely unnoticed. The default input file name is now commands.dat rather than contacts.dat. A couple of somewhat obscure bugs were fixed. The error messages are more informative, and more aggressively prevent the user from risky or incorrect construction of the input file.

::DEVELOPER

MMB Team

:: SCREENSHOTS

N/A

:: REQUIREMENTS

  • Windows/ Linux / Mac OsX
  • VMD

:: DOWNLOAD

 MMB

:: MORE INFORMATION

Citation:

Samuel Coulbourn Flores, Russ B. Altman.
Structural insights into Pre-Translocation Ribosome Motions.
In Proceedings of Pacific Symposium on Biocomputing’2011. pp.205~216 (2011)

Samuel Flores and Russ Altman,
Turning limited experimental information into 3D models of RNA,
RNA 16(9):1769-78 (2010).

HDXanalyzer 1.0 – Statistical Analysis of Protein Structure Dynamics

HDXanalyzer 1.0

:: DESCRIPTION

HDXanalyzer is software package to enable the statistical analysis of HDX mass spectrometry data. The software will help the protein structure dynamics study tremendously.

::DEVELOPER

Joshua Yuan lab

:: SCREENSHOTS

HDXanalyzer

:: REQUIREMENTS

  • Linux/ Windows/ MacOsX
  • Python

:: DOWNLOAD

 HDXanalyzer

:: MORE INFORMATION

Citation

BMC Bioinformatics. 2011 Feb 15;12 Suppl 1:S43. doi: 10.1186/1471-2105-12-S1-S43.
HDX-analyzer: a novel package for statistical analysis of protein structure dynamics.
Liu S, Liu L, Uzuner U, Zhou X, Gu M, Shi W, Zhang Y, Dai SY, Yuan JS.

AMMP 2.0 – Molecular Mechanics, Dynamics and Modeling program

AMMP 2.0

:: DESCRIPTION

AMMP is a modern full-featured molecular mechanics, dynamics and modeling program. It can manipulate both small molecules and macromolecules including proteins, nucleic acids and other polymers. In addition to standard features, like numerically stable molecular dynamics, fast multipole method for including all atoms in the calculation of long range potentials and robust structural optimizers, it has a flexible choice of potentials and a simple yet powerful ability to manipulate molecules and analyze individual energy terms. One major advantage over many other programs is that it is easy to introduce non-standard polymer linkages, unusual ligands or non-standard residues. Adding missing hydrogen atoms and completing partial structures, which are difficult for many programs, are straightforward in AMMP.

::DEVELOPER

Dr. Robert Harrison

:: SCREENSHOTS

:: REQUIREMENTS

  • Linux / Windows

:: DOWNLOAD

 AMMP

:: MORE INFORMATION

Citation

Protein Eng. 1999 Jun;12(6):469-74.
Molecular mechanics analysis of drug-resistant mutants of HIV protease.
Weber IT, Harrison RW.

CAGED 1.1 – Cluster Analysis of Gene Expression Dynamics

CAGED 1.1

:: DESCRIPTION

CAGED (Cluster Analysis of Gene Expression Dynamics) is a model based,Bayesian clustering procedure developed by Ramoni et al. to cluster gene expression profiles measured with microarrays in temporal experiments. Contrary to popular clustering methods, CAGED takes into account explicitly the fact that expression profiles in temporal experiments may be serially correlated and uses a model-based, Bayesian procedure to identify the best grouping of the gene expression data in an automated way.

CAGED implements a Bayesian clustering method designed to handle temporal experiments and subsuming standard independent experiments as a special case.

::DEVELOPER

Marco Ramoni & Paola Sebastiani

:: SCREENSHOTS

:: REQUIREMENTS

  • Windows

:: DOWNLOAD

CAGED

:: MORE INFORMATION

You will need a password to use this program. Please email sebas@bu.edu for a password.