* CHARMM command stream file to get per atom solvent accessible surface area
*

open unit 1 read form name "$toppar/top_all22_prot.inp"
read rtf card unit 1
close unit 1

open unit 1 read form name "$toppar/par_all22_prot.inp"
read param card unit 1
close unit 1

open unit 1 read form name camn.seq
read sequ card unit 1
close unit 1

generate 1CFC setup

define bb select ( type ca .or. type n .or. type c .or. type o -
                 .or. type ha .or. type ht1 .or. type ht2 .or. type ht3 ) end

define side select ( (.not. bb) ) end

set model 1
label readmodel

!  get coordinates
if @model gt 9 goto l1
open unit 1 read form name "input_pdb/camn_apo_00@MODEL.chm.pdb"
goto read
label l1
open unit 1 read form name "input_pdb/camn_apo_0@MODEL.chm.pdb"
label read
read coor pdb unit 1
close unit 1

!check coordinates
print coor

!get the solvent-accessible surface area
coor surf acce rprob 1.4 select all end
!scal wmain aver all
scal wmain show sele all end
coor stat

incr model by 1
if model le 25 goto readmodel


stop

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