Hi,
I'm new to the mailing list and I would really appreciate some help. My
client uses a chemical that has many carbon atoms in it and one of them
is actually Carbon-11. When I use and SDF file (show below) it models
all the carbon atoms the same. Is there any way that Jmol can show an
isotope? I just need that one Carbon atom to look a little different.
If you notice the 6th Carbon atom down it has a -1 next in the 5th
column, this is the carbon atom in question and I assume the -1 is to
indicate it is Carbon-11 (ie 12 - 1 = 11)
Is there anything I can do to get that Carbon at atom to announce its
difference?
Any help would be much appreciated as this is part of my degree
dissertation.
Kind Regards
Barny Shergold
450825
-OEChem-11290711172D
46 48 0 1 0 0 0 0 0999 V2000
3.4030 -2.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 2.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
4.2690 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 2.5000 0.0000 C -1 0 0 0 0 0 0 0 0 0 0 0
5.1350 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8950 -1.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8950 1.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8010 -0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8010 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6584 3.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0569 4.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8250 1.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6719 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4450 2.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8469 3.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2269 1.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4450 3.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8250 4.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6719 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8878 -1.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8878 1.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3368 -0.8329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3368 0.8329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5380 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5380 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 21 1 0 0 0 0
2 8 2 0 0 0 0
3 5 1 0 0 0 0
3 8 1 0 0 0 0
3 10 1 0 0 0 0
4 9 1 0 0 0 0
4 14 2 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
5 26 1 0 0 0 0
6 11 1 0 0 0 0
6 27 1 0 0 0 0
6 28 1 0 0 0 0
7 29 1 0 0 0 0
7 30 1 0 0 0 0
7 31 1 0 0 0 0
8 9 1 0 0 0 0
9 15 2 0 0 0 0
10 32 1 0 0 0 0
10 33 1 0 0 0 0
10 34 1 0 0 0 0
11 35 1 0 0 0 0
11 36 1 0 0 0 0
11 37 1 0 0 0 0
12 13 1 0 0 0 0
12 14 1 0 0 0 0
12 17 2 0 0 0 0
13 15 1 0 0 0 0
13 18 2 0 0 0 0
14 16 1 0 0 0 0
15 38 1 0 0 0 0
16 21 1 0 0 0 0
16 22 2 0 0 0 0
17 19 1 0 0 0 0
17 39 1 0 0 0 0
18 20 1 0 0 0 0
18 40 1 0 0 0 0
19 20 2 0 0 0 0
19 41 1 0 0 0 0
20 42 1 0 0 0 0
21 23 2 0 0 0 0
22 24 1 0 0 0 0
22 43 1 0 0 0 0
23 25 1 0 0 0 0
23 44 1 0 0 0 0
24 25 2 0 0 0 0
24 45 1 0 0 0 0
25 46 1 0 0 0 0
M ISO 1 10 11
M END
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