# Этот скрипт - для получения изображения выбранного остатка и контактирующего с ним фрагмента ДНК в шарнирной модели

set fontsize 9
set fontstroke 0
color label black
background white

define mjg  c.n4,a.n6,t.o4,g.o6,g.n7,a.n7,t.c5m,c.c5,g.c8,a.c8,t.c6,c.c6,g.c5,a.c5
define mig  c.o2,t.o2,g.n3,g.n2,a.n3,a.c2
define tocompl t.o4,t.n3,c.n4,c.n3,c.o2,g.o6,g.n1,g.n2,a.n6,a.n1
define basen c.c2,c.c4,c.n1,t.c4,t.c2,t.c5,t.n1,g.c2,g.c4,g.n9,g.c6,a.c4,a.n9,a.c6
define base  mjg,mig,tocompl,basen 
echo mjg means "DNA base  atoms from major groove"
echo mig means "DNA base  atoms from minor groove"
echo base="dna and not backbone"
echo ***
zoom 430


define pol_dr *.o5*, *.o4*, *.o3*
echo pol_dr means "polar atoms from deoxyribose"
define pol_ph *.o1p, *.o2p
echo pol_ph means "polar atoms from phosphate-groop"     
define pol_bs_mjg c.n4,a.n6,t.o4,g.o6,g.n7,a.n7
echo pol_bs_mjg means "DNA-base polar atoms from major groove"
define pol_bs_mig c.o2,t.o2,g.n3,g.n2,a.n3
echo pol_bs_mig means "DNA-base polar atoms from minor groove"
echo ***
define npolar_dr dna and backbone and carbon
echo npolar_dr means "not-polar atoms from deoxyribose"
define npolar_ph *.p and dna
echo npolar_ph means "not-polar atoms from phosphate-groop"
define npolar_bs_mig carbon and mig
echo npolar_bs_mig means "DNA-base not-polar atoms from minor groove"
define npolar_bs_mjg carbon and mjg
echo npolar_bs_mjg means "DNA-base not-polar atoms from major groove"

define my arg61, dna
restrict within (5.0, arg61) and my
center
restrict (G412, G411, arg61)
wireframe 10
select arg61
wireframe 30
select within (3.5, arg61 and *.nh?) and  (pol_bs_mjg, arg61 and *.nh?)
cpk 100
label %n %r %a %c

bond 490 2352 + 
bond 489 2377 +
bond 489 2374 +

select within (4.5, arg61 and *.cz) and (npolar_bs_mjg, arg61 and *.cz)
cpk 100
label %n %r %a %c