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Problem specifying the hub molecule #42
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That's odd. @shuail ?? (He added the hub option recently.) |
@achantzis That's odd, could you try to run the test case under the tests folder (the function is here Line 140 in 49152de
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@shuail I have run the test script as: python ./test_lomap.py And I get the following: .usage: LOMAPv1.0 [-h] [-p PARALLEL] [-v {off,info,pedantic}] [-t TIME]
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@achantzis are you on the master branch or the networkx2 one? Can you type |
Doing git log I got the following: commit f0d52a1
commit 9e97a08
commit dba977b
commit 787f1ba
commit d61ab1b
commit fe3bd91
commit 67ee935
commit 7d5a346
commit fa24ec7
commit 20e1a55
commit 7f3ace4 |
Closing this; maintenance moved to github.com/OpenFreeEnergy/Lomap. |
Dear all,
I am running lomap on a set of molecules and it runs fine using python 2.7. I have the following problem though: when I try to specify the hub molecule, so as to estimate the similarity scores of all the rest of the molecules with respect to the hub molecule I do not get the desired results. The output is the same graph as the one I get without specifying the hub option. I use the following command:
lomap -v pedantic -b system_01.mol2 -a ~/molecules/test
Can anyone please tell me what might be the problem?
Sincerely,
Agisilaos
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