Internal page of the Structural Chemistry & Biology Lab

This page contains software guides and programs written by the lab members. All material accessible from this page is available for use within the lab only. Any other usage requires permission from the head of the Laboratory or the author of the document/program.

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Using the Szeged machine (in Hungarian by Villeux)

Egyetemi formanyomtatványok

VirusBuster install and upgrade notes (in Hungarian by Bektom)

Egységes elő- és hátlap előadásokhoz

Könyvtár

A kölcsönzés menete (pdf)Leltár, 2007. 10. 01. (pdf)

Course materials

Veronika Harmat: Protein X-ray crystallography
FEHkrspeci-1v.pdf
FEHkrspeci-2v.pdf
FEHkrspeci-3v.pdf
FEHkrspeci-4v.pdf
FEHkrspeci-5v.pdf
FEHkrspeci-6v.pdf
FEHkrspeci-7v.pdf
FEHkrspeci-8v.pdf

Program guides

Name/linkDateAuthor(s)
NMRPipe (.doc)Jan 2006robert.kiss <at> chem.elte.hu
XEASY (.doc, zippelt)Jan 2006langax <at> chem.elte.hu
Referenciálás (.ppt)Nov 2006robert.kiss <at> chem.elte.hu
Relaxation data analysis with Sparky and Curvefit (.doc)Dec 2006langax <at> chem.elte.hu
GROMACS ensemble simulations with S2 restraints (.pdf)Dec 2006szpari <at> chem.elte.hu

Programs/scripts

Note that if a Perl program uses external modules (.pm files), the location of these might have to be set using the -I option in the first line of the Perl program!

Name/linkShort descriptionAuthor(s)
ReSpectDenMap.plA short program to do reduced spectral density mapping from relaxation data. Requires Vector3D.pm. Type ReSpectDenMap.pl -h to find out more.szpari <at> chem.elte.hu
ucsf2xeasy package (tgz)A suite of programs to convert Sparky (UCSF) format spectra to XEASY (contains Linux binaries!). Type ucsf2xeasy.pl -h to find out more.szpari <at> chem.elte.hu
shifts2nmrstar.plConverts a Sparky shifts file into NMR-STAR (BMRB) format. Invoke with -h for usage.szpari <at> chem.elte.hu
Vector3D.pmPerl module for some 3D coordinate manipulations.szpari <at> chem.elte.hu
PDBStruct.pmPerl module to handle PDB files. Requires Vector3D.pm. szpari <at> chem.elte.hu
pdb2bbm.plA program to get backbone and sidechain torsion angles from a PDB file. Uses the modules PDBStruct.pm and Vector3D.pm szpari <at> chem.elte.hu
pdb2fst.plA program to get the protein sequence deduceable from the coordinate section of a PDB file and write it out in FASTA format. Uses the modules PDBStruct.pm and Vector3D.pm szpari <at> chem.elte.hu