Software

NAFlex is powered by an Apache 2. web server with PHP 5. and MySQL 5.0.51. Calculations are redirected to a 8 core Intel(R) Xeon(R) CPU @ 2.67GHz - 16GB RAM cluster managed by a Sun Grid Engine batch manager.

List of external software used in NAFlex operations:

Program Description Package & Version
Curves+, Canal Analysis of Nucleic Acids Structure and Flexibility Curves+ 2.0
Open Babel Chemical toolbox designed to work with many languages of chemical data. Open Babel 2.1.1
R Statistics Statistical Computing and Graphics software. R 2.15.0
BLAST Basic Local Alignment Search Tool BLAST 2.2.17
CMIP Classical Molecular Interaction Potential CMIP 2.5.4
Gnuplot Plotting tool Gnuplot 4.2 patchlevel 2
Grace Plotting tool Grace 5.1.21
GROMACS Molecular Dynamics Simulator GROMACS 4.5.5
JMol Molecular Graphics Viewer JMol 10.00.46
MobyLite PerlAPI BioMoby Perl API MobyLite PerlAPI 1.0
NAMD Molecular Dynamics Simulator NAMD 2.8
PCAsuite Trajectory compression tool PCASuite 1.1
PropKa Prediction of protein pKa values Propka 2.0
Ptraj, cpptraj Structure and dynamic analysis of trajectories Ambertools 14
tgatoppm, pnmcrop, pnmtopng Image management Netpbm 10.0
Tleap MD preparation program Ambertools 14
VMD Molecular Graphics Viewer VMD 1.8.5