hole.inp

! example input file run on Arseniev's gramicidin structure
! note everything preceded by a "!" is a comment and will be ignored by HOLE
!
! follow instructions in doc/index.html to run this job
!
! first cards which must be included for HOLE to work
! note that HOLE input is case insensitive (except file names)
coord pdbname.pdb           ! Co-ordinates in pdb format
radius ~/hole2/rad/simple.rad   ! Use simple AMBER vdw radii
                                ! n.b. can use ~ in hole
!
! now optional cards
sphpdb pdbname.sph             ! pdb format output of hole sphere centre info
                                        ! (for use in sph_process program)
cvect 0.0 0.0 1.0
!cpoint -0.7145369648933411 -0.6006740927696228 4.780886173248291

endrad 7.                       ! This is the pore radius that is taken
                                ! as where channel ends. 5.0 Angstroms is good
                                ! for a narrow channel