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There were 10 questions found in this category:
  1. questionHow to get a co-crystallized ligand into ReCore within LeadIT's Receptor Preparation Wizard?
    The quick information: Use the ligand’s context menu (right mouse click) in the ProjectTree. We aim to improve support of this workflow. Background Information: PDB typically lacks information such as bond orders, atom type etc. We try to augment the existing information as good as ...

  2. questionHow to run FlexX on Windows Vista (compatibility)...
    FlexX/SIS pre-3.1.2 versions can be made to run under Windows Vista.You need to enable the executable to run in XP compatibilitiy mode.To do so:. please do a right-click on the executable's icon in Explorer- open the properties widget;on the second tab (Compatibility), you can select Windows XP ...

  3. questionHowTo: Add a metal ion to the RDF
    Release 3.1 (pre) and newer:Metals and respecting their coordination chemistry are supported in the GUI intuitively during the receptor preparation. RDF handling is obsolete.Release 2, 3.0 and older:In order to add metal ions to the Receptor Description File (RDF) you have to add two lines to t ...

  4. questionHowTo: Covalent Docking
    Release 3:Start FlexX/-SIS in commandline mode(flexx --commandline); then proceed as described below.Release 2 and older:Many people don't even know that FlexX can dock covalently bound ligands. Therefore, we found it all the more important to bring this topic to our readers' attention. In the ...

  5. questionHowTo: Determine the BioSolveIT-HostID
    There are several ways to determine the BioSolveIT-HostID of a computer (this is not the CPU-ID you can determine with other tools). Download the tool "FlexIDgen" from http://www.biosolveit.de/download unzip the file and run the included executable "flexidgen" (or flexidgen.exe on Windows) ...

  6. questionHowTo: Escape to the Operating System - Shell Escape
    FlexX/S and FTrees allow you to temporarily escape to your operating system. This can be convenient, for example, to zip or unzip input or output files. Also your custom analysis program or more complicated scripted tasks can be executed from within Flex*/FTrees. The shell escape is invoked wit ...

  7. questionHowTo: Rescoring with FlexX
    Release 3:Start FlexX/-SIS in commandline mode(flexx --commandline); then proceed as described below.Release 2 and older:It is of course possible to calculate a rescoring for a given complex. You can use the command SCORE that can be found in the menu DOCKING/ANALYZE. In this submenu you will a ...

  8. questionHowTo: Running a FlexLM License Server
    The regularly licensed versions of most of our tools allow that license requests for all installations in a network are managed by a single, so-called 'license server'. This is not a machine but a piece of software running on a computer. Such a server may manage the license requests for hundreds ...

  9. questionHowTo: Set up FlexX for parallel mode
    Release 3:Parallel processing is adjusted in File | Global Preferences. The respective settings will be written to your home directory and must therefore be available to the parallel compute nodes.Release 2 and older: 1. Create a link to FlexX in ~pvm3/bin/<$PVM_ARCH>/<executable> T ...

  10. questionHowTo: Use a Gaussian Filter
    Release 3:* Use the access_scaling dialog in DOCKING | DEFINE | SCORING.* For more advanced configuration, start FlexX/-SIS using the commandline (flexx --cli), then proceed as below. Release 2: Preconception: FlexX placements are sometimes found at the rim of the binding site. True — b ...

Last modified Saturday, 04. Feb 2012 11:45 CET by WebMaster