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Software Packages (with online help)

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NMR Data Processing and Analysis

nmrPipe - NMR data processing and analysis

Accessory Programs - Companion Programs for nmrPipe Package

pipp, capp, stapp, ps_contour, contour_sim, and pck_tools - NMR data analysis

XEASY- interactive NMR data analysis package from ETH. See Tutorial on how to use XEASY to make sequential resonance assignments using HSQC, HNCACB, and CBCA(CO)NH

SPSCAN- Utility Programs to Complement ETH XEASY Package. See Tutorial on How to Convert NMRPIPE Files to XEASY Format

ModelFree4- Modeling of NMR Relaxation Data

CSI - Consensus Chemical Shift Index Program

AutoAssign - Automated assignment of proteins based upon input from peak-picked triple-resonance data sets

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Structure Calculations - Structure calculatios for NMR and X-ray crystallograph

CNS - Crystallography and NMR System

XPLOR 3.851 - X-ray and NMR macromolecular structure determination

AMBER - Structure calculations based on ab-initio theory or by experimental means

ARIA - software for automated NOE assignment and structure calculation using ambiguous distance restraints. See the tutorial on starting an ARIA calculation with PIPP data

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Displaying and Analyzing Molecular Structures

setor - Interactive X-windows based molecular graphics program; Click here to download the manual (pdf formatted)

GRASP - Interactive X-windows based molecular graphics program; Click here to to download the manual (pdf formatted - see NOTE)

molscript - graphical display of 3D structures

insightII- interactive graphical display of 3D structures
Insight II telephone support is also available.

Ribbons - graphical display of 3D structures

MolMol - graphical display of 3D structures, especially useful for handling simultaneous multiple models as is typically the case in NMR-based structure calculations

Rasmol - graphical display of 3D structures

PROCHECK - A program to check the stereochemical quality of macromolecular structures determined by X-ray crystallography

PROCHECK-NMR - A program to check the stereochemical quality of ensembles of macromolecular structures determined by NMR spectroscopy

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General UNIX Software

acroread - Adobe Acrobat Reader for Displaying PDF Files; Click here to download the manual (pdf formatted)

enscript - a useful program for printing text files!

convert - a program for convering various graphical formats: rgb->jpeg etc.

snapshot - a program for bitmap screen capture on the SGI workstation

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Last updated on July 17, 2003