I have a protein structure loaded into VMD, it has multiple chains. I would like to get the number of chains, and the number of amino acids in each chain using a Tcl script. Does anyone know how to do it?
Sidra Batool
For multichain protein (here selection is done using atom numbers)
set all [atomselect top "protein"]
set a [atomselect top "serial 1 to 2187"]
set b [atomselect top "serial 2188 to 4378"]
$a set chain A
$b set chain B
$all writepdb renamechains.pdb
1 votes
1 thanks
Peter Nagy
thanks, but that's not exactly what I had in mind. The loaded protein already has chains, and I would like to get the number of chains using a command, and with another command the number of amino acids in each chain.
0 votes
0 thanks
- Badges
- Science topic
More Peter Nagy's questions See All
Similar questions and discussions