ISHPC

Introducción al cómputo científico y de alto desempeño Feb-May 2016

16jun

https://web.stanford.edu/group/fayer/figures/phase1.png https://en.wikipedia.org/wiki/Liquid_crystal https://en.wikipedia.org/wiki/Dipalmitoylphosphatidylcholine http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3512041/

30may http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/membrane_protein/

2may

http://whattheserver.me/billing/knowledgebase/34/Install-RarorUnrar-centos-6.html

https://en.wikipedia.org/wiki/DSSP_(hydrogen_bond_estimation_algorithm) https://en.wikipedia.org/wiki/STRIDE http://swift.cmbi.ru.nl/gv/dssp/

11abr http://www1.lsbu.ac.uk/water/water_models.html

7abr

28mar http://files.rcsb.org/view/2C58.pdb http://www.wwpdb.org/documentation/file-format-content/format33/sect9.html

17mar rpm -i http://lug.mtu.edu/epel/6/x86_64/epel-release-6-8.noarch.rpm

yum --enablerepo=epel install pymol

14mar http://manual.gromacs.org/online.html http://bqmc.wikispaces.com/EjemploGromacs+5.1+GPUs

25feb

22feb

18feb

15feb

11feb https://en.wikipedia.org/wiki/Protein_structure https://en.wikipedia.org/wiki/CATH_database http://www.rcsb.org/pdb/statistics/contentGrowthChart.do?content=fold-cath https://en.wikipedia.org/wiki/Protein_structure_prediction

http://zhanglab.ccmb.med.umich.edu/ http://raptorx.uchicago.edu/

virtualbox 5.0.14 https://www.virtualbox.org/wiki/Downloads

CentOS 6.7 http://centos.jellyfish.lol/6.7/isos/x86_64/CentOS-6.7-x86_64-bin-DVD1.iso

Instalación de Gromacs 5.1.2 en CentOS 6.7

__Para instalar:__ su - yum groupinstall "Development Tools" yum install cmake wget ftp://ftp.gromacs.org/pub/gromacs/gromacs-5.1.2.tar.gz tar xfz gromacs-5.1.2.tar.gz cd gromacs-5.1.2 mkdir build cd build/ cmake .. -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON make make check make install

__Para usar:__ source /usr/local/gromacs/bin/GMXRC

o bien editar el archivo .bashrc, añadir export PATH=/usr/local/gromacs/bin/GMXRC:$PATH

Instalar IDLE yum install python-tools