Command-line Tips and Tricks

Shell Aliases and Functions

The following aliases are helpful in reducing typing on the command line. These can be added to the user shell script (ex: .bashrc).

# mollib: backbone dihedral angles
alias mlr='mollib measure --rama -i'

# mollib: hydrogen bonds
alias mlh='mollib hbonds --hydrogenate -i'

# mollib: partial alignment from the PDB
function mlp() { mollib pa -i $1 -a $1 ${@:2};}

# mollib: download a PDB file
function mlget() { mollib process -i $1 --save; gzip -d $1.pdb.gz;}