Mutate

Example Files
File Mutate.pdb Binary Data Mutate.cfg
Download and Copy Mutate.pdb and Mutate.cfg into your working directory and type:

./modelX -f Mutate.cfg

Or check the command line tab
Name Parameter Description Parameter Type Parameter Default
model Residue name to model string PRO
mol Mol to scan with peptides string *
mol-mutate Molecule name to mutate string *
res-mutate Residue number to mutate int -100000
residue Residue to scan with peptides int -100000
Name Parameter Description Parameter Type Parameter Default Parameter Range
atom-type Atom type to be consider in the evaluation: BB,SC,ALL string BB 0-2
biassed Use biassed or non biassed forcefield bool false
command string
config Set a configuration file path
database-name Set the mySQL database name string PepXDB
database-pass Set the mySQL password string modelx
database-port Set the mySQL database port int 3306
database-server Set the mySQL server string localhost
database-user Set the mySQL username string modelx
excluded File with excluded pdb from queries path
help Show help screen
max-threads Set the maximum number of threads int 1
output-dir Set output directory path
output-file Get Pdb file without dna path noDna.pdb
pdb Set a PDB file path
pdb-dir Set PDB directory path
renumber Renumber the pdb bool false
>modelx --command=Mutate --pdb=Mutate.pdb --residue=2 --mol=A --model=PRO --database-name=ModelX --database-server=localhost --database-user=modelx --database-pass=modelx