Posts by Chris Skull

1) Message boards : Number crunching : Smina for mol2 (Message 4790)
Posted 27 Feb 2017 by Chris Skull
Post:
Hello,
is that correct ? All my valid units have this output:

core_client_version>7.6.31</core_client_version>
<![CDATA[
<stderr_txt>
20:04:44 (24786): wrapper (7.5.26014): starting
20:04:44 (24786): wrapper: running smina_mol2 (--cpu 1 --config conf.txt --ligand smina_mol2_data.sdf --out smina_mol2_out.mol2 --log smina_mol2_log.txt)
==============================
*** Open Babel Warning in Init
Cannot open element.txt defaulting to compiled data.
==============================
*** Open Babel Warning in Init
Cannot open types.txt defaulting to compiled data.
==============================
*** Open Babel Warning in Init
Cannot open resdata.txt defaulting to compiled data.
==============================
*** Open Babel Warning in Init
Cannot open bondtyp.txt defaulting to compiled data.
==============================
*** Open Babel Warning in Init
Cannot open aromatic.txt defaulting to compiled data.
==============================
*** Open Babel Warning in Init
Cannot open atomtyp.txt defaulting to compiled data.
==============================
*** Open Babel Warning in Init
Cannot open phmodel.txt defaulting to compiled data.
20:11:16 (24786): smina_mol2 exited; CPU time 384.728000
20:11:16 (24786): called boinc_finish(0)

</stderr_txt>



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