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| author | rautenberg <rautenberg@in-silico.ch> | 2012-10-09 10:37:37 +0200 |
|---|---|---|
| committer | rautenberg <rautenberg@in-silico.ch> | 2012-10-09 10:37:37 +0200 |
| commit | 1b03cf1b35a15769c6433f1f836e479fb80d4477 (patch) | |
| tree | e22d13f7fb7b292b7654562b3a7d0cb4dacd1a6a | |
| parent | d429895904670e264f4277a39f948a259755b4c9 (diff) | |
| parent | b3b71a47a6bf80329ef677335532afebf22a8347 (diff) | |
Merge branch 'master' of github.com:opentox/opentox.github.com
| -rw-r--r-- | _posts/2012-09-11-development-vanilla-version.md | 39 |
1 files changed, 39 insertions, 0 deletions
diff --git a/_posts/2012-09-11-development-vanilla-version.md b/_posts/2012-09-11-development-vanilla-version.md index 9dbdd35..0cadd71 100644 --- a/_posts/2012-09-11-development-vanilla-version.md +++ b/_posts/2012-09-11-development-vanilla-version.md @@ -36,6 +36,45 @@ Load dataset. ds=`get_result "$task"` echo "hamster: $ds" + +<br> +<br> +<hr> +<br> + +Calculate benzene PC descriptors, constrained by `pc_type`: + + curl \ + --data-urlencode "pc_type=geometrical" \ + -X POST http://localhost:8082/compound/InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H/pc + +Constrained by `lib` and `pc_type`: + + curl \ + --data-urlencode "lib=joelib" \ + --data-urlencode "pc_type=geometrical" \ + -X POST http://localhost:8082/compound/InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H/pc + +As RDF/XML: + + curl -H "accept:application/rdf+xml" \ + --data-urlencode "pc_type=geometrical" \ + -X POST http://localhost:8082/compound/InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H/pc + +Calculate dataset PC descriptors, constrained by `pc_type`: + + task=`curl \ + --data-urlencode "pc_type=geometrical" \ + -X POST $ds/pc` + pc_fds=`get_result "$task"` + echo "pc feature ds: $pc_fds" + + +<br> +<br> +<hr> +<br> + Mine subgraphs. # bbrc feature ds |