Hi,
I have 640 very similar protein structures in .mol2 format, named
2jnk$i_rec.mol2 where $i is the protein number. I need to align all them
respect to the first protein (2jnk1_rec.mol2) and then save separately
each new aligned protein with a different name, for instance
2jnkp$i_rec.mol2.
Hi Horacio,
There are several ways of doing this. In a .pml script or on the
command line you can do:
/for i in range( 1, 641 ):\
cmd.load( 2jnk%d_rec.mol2 % i, temp, format=mol2, state=1 )\
cmd.align( temp, ref )\
cmd.save( 2jnkp%d_rec.mol2 % i, temp, format=mol2 )\
cmd.delete( temp )
