Difference between revisions of "SPARTA+"
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Step 1. Load the sparta+ module | Step 1. Load the sparta+ module | ||
module load sparta+ | module load sparta+ | ||
| − | |||
Step 2. Run sparta+ with a valid input file, e.g. | Step 2. Run sparta+ with a valid input file, e.g. | ||
sparta+ -in protein.pdb | sparta+ -in protein.pdb | ||
Revision as of 15:58, 5 June 2012
Introduction
SPARTA+ , SPARTA+ employs a well-trained neural network algorithm to make rapid chemical shift prediction on the basis of known structure. The trained neural network yields rapid and accurate chemical shift prediction for backbone and 13CB atoms.
Version 2.60
Installation Directory
/apps/sparta+/2.60 ----- Binary installation from released packages.
Execution Instruction
- To use SPARTA+ on HPC systems:
Step 1. Load the sparta+ module
module load sparta+
Step 2. Run sparta+ with a valid input file, e.g.
sparta+ -in protein.pdb
Reference
SPARTA+ website: URL: http://spin.niddk.nih.gov/bax/software/SPARTA+/