Hi,
I am new to Jmol, is there any way we can convert a chime string to mdl mol
file format?
I have a web application, where users input the structure using the chime
plugin, on server side I get the straight parameter value as a String, for
example :
iYggWK4Am$wQA44EjaFnIk9BR57lT6J8WNC6xz6370sGtFEc6lO4y9puTMln7qGGCRSDm8lPxMadXezdp5L3r0afD6QtPc0Pf2ETxMIUFM4a2^MXCSh44$HT5Bv^L$Ohlq1GshHgadOySCQAk5iZtt3JbVHbwLV5C8sANKp8uE5tYMrGFsBEKV2mzBTCl1pfEKMbpRIgQiBSJ0AMlOZW5V62F0Pt$au39mmUZVXjEfwLdzlRUS9JigLFSoRYMRCBAK8QIlEh$yEJxL5Jkl4zik0IUNaxYJ5R4huyIrZkqbZJRrRQlL1JqgXuuUUEf$347I9fzrHwySqqFofpTej8sB
I am wondering if there is way we can convert this to .mol file format, for
example :
babelxyz.mol
example_mol chemdig rzepa
12 12 0 0 0 0 0 0 0 0 0
-1.2230 0.6750 0.0000 C 0 0 0 0 0
-0.0260 1.3960 0.0000 C 0 0 0 0 0
1.1960 0.7210 0.0000 C 0 0 0 0 0
1.2220 -0.6760 0.0000 C 0 0 0 0 0
0.0260 -1.3960 0.0000 C 0 0 0 0 0
-1.1960 -0.7210 0.0000 C 0 0 0 0 0
-2.1710 1.2000 0.0000 H 0 0 0 0 0
-0.0470 2.4800 0.0000 H 0 0 0 0 0
2.1250 1.2810 0.0000 H 0 0 0 0 0
2.1710 -1.2000 0.0000 H 0 0 0 0 0
0.0470 -2.4800 0.0000 H 0 0 0 0 0
-2.1250 -1.2810 0.0000 H 0 0 0 0 0
1 2 2 0 0 0
1 6 1 0 0 0
1 7 1 0 0 0
2 3 1 0 0 0
2 8 1 0 0 0
3 4 2 0 0 0
3 9 1 0 0 0
4 5 1 0 0 0
4 10 1 0 0 0
5 6 2 0 0 0
5 11 1 0 0 0
6 12 1 0 0 0
M END
thanks,
Naren.
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