#*******************************************************************************
#                                                                              *
#                                   Viewmol                                    *
#                                                                              *
#                              V I E W M O L R C                               *
#                                                                              *
#                  Copyright (c) Joerg-R. Hill, October 2003                   *
#                                                                              *
#*******************************************************************************
#
# $Id: viewmolrc,v 1.7 2004/08/29 15:21:07 jrh Exp $
# $Log: viewmolrc,v $
# Revision 1.7  2004/08/29 15:21:07  jrh
# Release 2.4.1
#
# Revision 1.6  2003/11/07 13:03:59  jrh
# Release 2.4
#
# Revision 1.5  2000/12/10 15:18:46  jrh
# Release 2.3
#
# Revision 1.4  1999/05/24 01:29:12  jrh
# Release 2.2.1
#
# Revision 1.3  1999/02/07 21:59:33  jrh
# Release 2.2
#
# Revision 1.2  1998/01/26 00:49:45  jrh
# Release 2.1
#
# Revision 1.1  1996/12/10  18:49:10  jrh
# Initial revision
#
#
option bio $VIEWMOLPATH/$OSNAME/bio '%s' "BIOSYM"
option bio $VIEWMOLPATH/$OSNAME/bio '%s' "DIMENSION"
option dmol $VIEWMOLPATH/readdmol '%s' "D M o l"
option dmol $VIEWMOLPATH/readdmol -v '%s' "DMol"
option dmol $VIEWMOLPATH/readdmol '%s' "DDDDDDDD"
option gamess $VIEWMOLPATH/$OSNAME/readgamess '%s' "GAMESS"
option gauss $VIEWMOLPATH/$OSNAME/readgauss '%s' "Gaussian"
option gulp $VIEWMOLPATH/readgulp '%s' "GENERAL UTILITY"
option mopac $VIEWMOLPATH/$OSNAME/readmopac '%s' "MOPAC"
option pdb $VIEWMOLPATH/$OSNAME/readpdb '%s' "ATOM"
option pdb $VIEWMOLPATH/$OSNAME/readpdb '%s' "HEADER"
option pqs $VIEWMOLPATH/readpqs '%s' "PQS"
option python python "python"
option tmmsi $VIEWMOLPATH/$OSNAME/tm -msi '%s' "type=car"
option tm $VIEWMOLPATH/$OSNAME/tm '%s' "$coord"
option tm $VIEWMOLPATH/$OSNAME/tm '%s' "$scratch"
option tm $VIEWMOLPATH/$OSNAME/tm '%s' "$natural orbital"
option tm $VIEWMOLPATH/$OSNAME/tm '%s' "$symmetry"
option vamp $VIEWMOLPATH/$OSNAME/readmopac '%s' "VAMP"
#
output car $VIEWMOLPATH/writecar car '%s'
output arc $VIEWMOLPATH/writecar arc '%s'
output gauss $VIEWMOLPATH/writegauss.py '%s'
output mol $VIEWMOLPATH/writemol '%s'
output tm  $VIEWMOLPATH/writetm '%s'
#  radius colour from      to
#          r    g    b      r    g    b
h   0.46  0.50 0.50 0.50   0.80 0.80 0.80
he  1.60  0.50 0.50 0.50   0.80 0.80 0.80
li  0.68  0.00 0.00 0.00   0.30 0.30 0.30
be  0.35  0.00 0.00 0.00   0.30 0.30 0.30
b   0.82  0.00 0.00 0.00   0.30 0.30 0.30
c   0.85  0.30 0.30 0.30   0.50 0.50 0.50
n   0.75  0.00 0.75 0.00   0.00 1.00 0.00
o   0.74  0.00 0.00 0.30   0.00 0.00 1.00
f   0.72  0.00 0.50 0.00   0.00 0.75 0.50
ne  1.12  0.00 0.00 0.00   0.30 0.30 0.30
na  1.54  0.30 0.30 0.30   0.30 0.30 0.30
mg  1.37  0.30 0.30 0.30   0.30 0.30 0.30
al  1.33  0.20 0.20 0.20   0.50 0.50 0.50
si  1.17  0.50 0.30 0.00   1.00 0.50 0.00
p   1.06  0.80 0.00 0.00   1.00 0.00 0.20 
s   1.02  0.80 0.80 0.00   1.00 1.00 0.00
cl  0.99  0.00 0.50 0.00   0.00 0.75 0.50
ar  1.54  0.00 0.00 0.00   0.30 0.30 0.30
k   1.33  0.00 0.00 0.00   0.30 0.30 0.30
ca  1.74  0.00 0.00 0.00   0.30 0.30 0.30
sc  1.91  0.00 0.00 0.00   0.30 0.30 0.30
ti  1.63  0.00 0.00 0.00   0.30 0.30 0.30
v   1.10  0.00 0.00 0.00   0.30 0.30 0.30
cr  1.55  0.00 0.30 0.00   0.00 0.80 0.00
mn  1.42  0.00 0.00 0.00   0.30 0.30 0.30
fe  1.37  0.50 0.00 0.00   1.00 0.50 0.00
co  1.26  0.00 0.00 0.00   0.30 0.30 0.30
ni  1.55  0.00 0.00 0.00   0.30 0.30 0.30
cu  1.17  0.30 0.30 0.00   1.00 0.50 0.00
zn  1.47  0.00 0.00 0.00   0.30 0.30 0.30
ga  1.52  0.50 0.00 0.60   0.90 0.00 1.00
ge  1.53  0.00 0.00 0.00   0.30 0.30 0.30
as  1.55  0.75 0.75 0.15   0.75 0.75 0.15
se  1.46  0.00 0.00 0.00   0.30 0.30 0.30
br  1.44  0.00 0.00 0.00   0.30 0.30 0.30
kr  1.60  0.00 0.00 0.00   0.30 0.30 0.30
rb  2.78  0.00 0.00 0.00   0.30 0.30 0.30
sr  2.45  0.00 0.00 0.00   0.30 0.30 0.30
y   2.08  0.00 0.00 0.00   0.30 0.30 0.30
zr  1.89  0.00 0.00 0.00   0.30 0.30 0.30
nb  1.73  0.00 0.00 0.00   0.30 0.30 0.30
mo  1.56  0.00 0.00 0.00   0.30 0.30 0.30
tc  1.65  0.00 0.00 0.00   0.30 0.30 0.30
ru  1.63  0.00 0.00 0.00   0.30 0.30 0.30
rh  1.65  0.00 0.00 0.00   0.30 0.30 0.30
pd  1.68  0.00 0.00 0.00   0.30 0.30 0.30
ag  1.75  0.00 0.00 0.00   0.30 0.30 0.30
cd  1.79  0.00 0.00 0.00   0.30 0.30 0.30
in  1.93  0.00 0.00 0.00   0.30 0.30 0.30
sn  1.71  0.00 0.00 0.00   0.30 0.30 0.30
sb  1.75  0.00 0.00 0.00   0.30 0.30 0.30
te  1.73  0.00 0.00 0.00   0.30 0.30 0.30
i   1.63  0.00 0.00 0.00   0.30 0.30 0.30
xe  1.70  0.00 0.00 0.00   0.30 0.30 0.30
cs  2.95  0.00 0.00 0.00   0.30 0.30 0.30
ba  2.47  0.00 0.00 0.00   0.30 0.30 0.30
la  2.17  0.00 0.00 0.00   0.30 0.30 0.30
ce  1.82  0.50 0.50 0.00   0.80 0.80 0.00
pr  2.12  0.00 0.00 0.00   0.30 0.30 0.30
nd  2.11  0.00 0.00 0.00   0.30 0.30 0.30
pm  2.11  0.00 0.00 0.00   0.30 0.30 0.30
sm  2.10  0.00 0.00 0.00   0.30 0.30 0.30
eu  2.29  0.00 0.00 0.00   0.30 0.30 0.30
gd  2.09  0.00 0.00 0.00   0.30 0.30 0.30
tb  2.06  0.00 0.00 0.00   0.30 0.30 0.30
dy  2.05  0.00 0.00 0.00   0.30 0.30 0.30
ho  2.04  0.50 0.50 0.50   0.80 0.80 0.80
er  2.03  0.00 0.00 0.00   0.30 0.30 0.30
tm  2.03  0.00 0.00 0.00   0.30 0.30 0.30
yb  2.24  0.00 0.00 0.00   0.30 0.30 0.30
lu  2.02  0.00 0.00 0.00   0.30 0.30 0.30
hf  1.86  0.50 0.50 0.50   0.80 0.80 0.80
ta  1.73  0.00 0.00 0.00   0.30 0.30 0.30
w   1.58  0.00 0.00 0.00   0.30 0.30 0.30
re  1.67  0.00 0.00 0.00   0.30 0.30 0.30
os  1.64  0.00 0.00 0.00   0.30 0.30 0.30
ir  1.66  0.00 0.00 0.00   0.30 0.30 0.30
pt  1.69  0.00 0.00 0.00   0.30 0.30 0.30
au  1.74  0.50 0.30 0.00   0.90 0.80 0.00
hg  1.80  0.50 0.50 0.50   0.80 0.80 0.80
tl  2.00  0.00 0.00 0.00   0.30 0.30 0.30
pb  2.05  0.00 0.00 0.00   0.30 0.30 0.30
bi  1.85  0.00 0.00 0.00   0.30 0.30 0.30
po  1.48  0.00 0.00 0.00   0.30 0.30 0.30
at  1.81  0.00 0.00 0.00   0.30 0.30 0.30
rn  1.90  0.00 0.00 0.00   0.30 0.30 0.30
fr  3.15  0.00 0.00 0.00   0.30 0.30 0.30
ra  2.52  0.00 0.00 0.00   0.30 0.30 0.30
ac  2.18  0.00 0.00 0.00   0.30 0.30 0.30
th  2.10  0.00 0.00 0.00   0.30 0.30 0.30
pa  1.91  0.00 0.00 0.00   0.30 0.30 0.30
u   1.69  0.00 0.00 0.00   0.30 0.30 0.30
np  0.95  0.00 0.00 0.00   0.30 0.30 0.30
pu  1.81  0.00 0.00 0.00   0.30 0.30 0.30
am  1.61  0.00 0.00 0.00   0.30 0.30 0.30
cm  0.91  0.00 0.00 0.00   0.30 0.30 0.30
bk  0.90  0.00 0.00 0.00   0.30 0.30 0.30
cf  0.89  0.00 0.00 0.00   0.30 0.30 0.30
es  0.88  0.00 0.00 0.00   0.30 0.30 0.30
fm  0.87  0.00 0.00 0.00   0.30 0.30 0.30
md  0.86  0.00 0.00 0.00   0.30 0.30 0.30
no  0.85  0.00 0.00 0.00   0.30 0.30 0.30
lr  0.84  0.00 0.00 0.00   0.30 0.30 0.30
rf  0.84  0.00 0.00 0.00   0.30 0.30 0.30
db  0.84  0.00 0.00 0.00   0.30 0.30 0.30
sg  0.84  0.00 0.00 0.00   0.30 0.30 0.30
bh  0.84  0.00 0.00 0.00   0.30 0.30 0.30
hs  0.84  0.50 0.50 0.50   0.80 0.80 0.80
mt  0.84  0.00 0.00 0.00   0.30 0.30 0.30
rg  0.84  0.00 0.00 0.00   0.30 0.30 0.30
#   Bond
bd  0.15  0.00 0.00 0.00   0.60 0.60 0.00
#   Unit cell
uc  0.15  0.20 0.20 0.20   0.50 0.50 0.50
#   Positive isosurface
ps  0.00  0.50 0.00 0.00   1.00 0.00 0.00
#   Negative isosurface
ms  0.00  0.00 0.00 0.50   0.00 0.00 1.00
#   Miller plane
mp  0.00  0.70 0.70 0.70   0.90 0.90 0.90 alpha 0.75
#   Default for unknown atoms
??  0.10  0.00 0.00 0.00   0.00 0.00 0.00
