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Search Results for "flexS"
There were 12 questions found for your query:
  1. questionFlexX/SIS Parallel Runs Utter A PVM Error: "-7 (No such file)"
    When FlexX or FlexSIS utter this error libpvm [nnnn]: pvm_spawn: Not FoundTrouble spawning work processes on host NNN, abort. Error codes:Process 0 : -7 (No such file)this points to the PVM not be ...

  2. questionWhich Licenses are available?
    Our software is license key protected. Please be aware that you may not run our software under any circumstances without a valid license. There are two kinds of license available: ...

  3. questionWhy does FlexS not produce any solutions in some cases?
    There is a volume overlap threshold which prevents FlexS from generating superposition solutions, where the test ligand extends too far away from the reference ligand. You can influence this par ...

  4. questionFlexX 3 and later: libraries missing (Xmu, glx, ...)
    If you encounter a quick startup and immediate end of a flashing black box upon starting FlexX/FlexSIS, then please do the following: Issue the commandstrace -o flexx_trace.out ./flexx fro ...

  5. questionCan I change the individual scoring function terms?
    The FlexS scoring function is derived from the Böhm empirical scoring function (H.J.Böhm, The development of a simple scoring function to estimate the binding constant for a protein-li ...

  6. questionCan FlexS accept a template molecule which is actually a collection of superimposed molecules?
    This can be done with FlexS, but our solution is not working on multi-mol2 files for the following reason: Our superpositioning algorithm needs a connected molecule graph. At the moment we can't ...

  7. questionHow do I select a base fragment?
    It is now possible to run FlexS fully automatically for virtual screening purposes. We have adapted FlexS this task, so that it can be run in batch mode in order to process huge amounts of data. ...

  8. questionWhat kind of preparation do the input compounds need?
    Both, reference compound and test compound need to have partial charges and hydrogen atoms annotated. The test compound should also be in a reasonable low energy conformation since the bond leng ...

  9. questionWhat is RigFit? How does it relate to FlexS?
    RigFit is a module within the FlexS-program. It allows rigid-body superpositioning of molecules and molecular fragments onto a reference molecule. The RigFit-method has been described in detail ...

  10. questionHowTo: Set up FlexS/FTrees for parallel mode
    1. Create a link to FlexS/FTrees in   ~pvm3/bin/<$PVM_ARCH>/<executable> This link must be: - NFS -readable - correspond to the entry FLEXS/FTREES in the configuration file ...

  11. questionFlexLM license error -103 (Windows Terminal Server)
    This error code (-103) means:   "Terminal Server remote client not allowed."    This occurs because our evaluation licenses are not allowed to run on Windows Terminal Server ...

  12. questionHow To: Use new BioSolveIT-HostID licenses together with old style licenses
    The current releases of the BioSolveIT toolsLeadITFTreesFlexSCoLibriPoseViewall use license keys that use the BioSolveIT-HostID as the machine identifier.  When you are also using other BioSo ...

Last modified Friday, 18. May 2012 08:45 CEST by WebMaster