Bob,
Following your note on SMILES (very nice addition by the way), I've been
playing around with the Indiana University site. Since I have sever side
programming control, I had no problem reading the IU http into a hidden
field with subsequent load into the unsigned Jmol applet. I have to do
this (the load) with JavaScript, however, and I was wondering about a
direct load to Jmol. The IU return string (molfile) uses line-feeds.
Below is their return for propane with bars replacing line-feeds. Is
there any way to doctor this string so that Jmol will read it on a new
load? I could write the unaltered file it to a temp file on the server
and then load that as a molfile, but I'm curious about the possibility
of reading the http stream into Jmol from my server directly on a fresh
load.
The UI file for propane with aforementioned line-feed swap:
| PCMODEL v9.1 1.0 0.0|| 11 10 0 0 0 0 1 V2000| 1.3793 0.6283
0.5851 C 0 0 0 0 0 0 | 2.1939 1.8713 0.9005 C 0 0 0 0 0 0 | 2.4846
1.9884 2.3871 C 0 0 0 0 0 0 | 1.9120 -0.2779 0.8908 H 0 0 0 0 0 0 |
0.4143 0.6503 1.1018 H 0 0 0 0 0 0 | 1.1875 0.5634 -0.4904 H 0 0 0 0 0 0
| 1.6488 2.7601 0.5641 H 0 0 0 0 0 0 | 3.1383 1.8388 0.3457 H 0 0 0 0 0
0 | 1.5564 2.0516 2.9643 H 0 0 0 0 0 0 | 3.0724 2.8892 2.5888 H 0 0 0 0
0 0 | 3.0534 1.1241 2.7448 H 0 0 0 0 0 0 | 1 2 1 0| 1 4 1 0| 1 5 1 0| 1
6 1 0| 2 3 1 0| 2 7 1 0| 2 8 1 0| 3 9 1 0| 3 10 1 0| 3 11 1 0|M END|
|-4.897042|||
Otis
--
Otis Rothenberger
chemagic.com
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