A voltage-dependent fluorescent indicator for optogenetic applications, archaerhodopsin-3: Structure and optical properties from in silico modeling
Authors/Creators
Description
seq.fasta and P96787_1UAZ.fasta are the input files for I-TASSER suite.
The command of running I-TASSER suite:
path-to-I-TASSER-dir/I-TASSERmod/runI-TASSER.pl -pkgdir path-to-I-TASSER-dir -libdir path-to-I-TASSER-lib-dir -seqname P96787 -datadir path-to-workdir -outdir path-to-outdir -java_home /usr/ -restraint2 P96787_1UAZ.fasta
For detailed data please refer to I-TASSER documentation.
The P96787_1UAZ_IT.zip is an archieve with I-TASSER output for the best achaerhodopsin-3 prediciton.
SCRIPTS_GENERAL.zip contains all the scripts for the structure postprocessing: addition of hydrogen atoms,
chromophore insertion and equilibration, internal waters addition.
P96787_wi.pdb is a final prepared structure.
Input files for spectra calculations are rhodopsin_gaussian.inp and rhodopsin_orca.inp.
Files
P96787_1UAZ_IT.zip
Files
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