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There were 7 questions found in this category:
  1. questionHow To: Setup PVM for LeadIT
    Prepare PVM EnvironmentChoose a machine as a PVM daemon machine, accessible from any cluster nodeConfigure ssh, so that my user can login to the PVM daemon machine; in the following steps, as an example this user is called bitDownload PVM from http://www.csm.ornl.gov/pvm, compile itSet up the fo ...

  2. questionAre there unsupported Linux distributions?
    There are some Linux distributions we know of which may cause trouble with some of our tools. This list is most probably NOT comprehensive, so we encourage you to use the test and evaluation periods to find out whether the tool runs on the specific platform that you wish to employ. LeadITRedHat ...

  3. 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 ...

  4. questionI can't get MOE to run with LeadIT's Docking
    Applies to all LeadIT versions (not FlexX-GUIs!), and all MOE versions with a FlexX/-SIS interface:To make LeadIT work with MOE, please use the two patch files attached below.Simply copy them to the MOE directory tree into the folder <your moe installation>/lib/svl/patch(On windows use ba ...

  5. questionLeadIT freezes in ubuntu 64-bit and other Linux distributions
    When you experience a freeze in LeadIT under Linux, this might be due to an improper working NVidia graphics card driver.If you are unsure whether your machine is indeed equipped with an NVIDIA graphics card, you mightSearch the output from leadit --commandline --systeminfo at the command line. ...

  6. questionLeadIT shows incomplete file dialogs / missing directory entries
    When you encounter missing directory entries in file dialogs, the reason may be an improper working nvidia graphics card driver.For further details please follow http://www.biosolveit.de/faq/questions/97.

  7. questionWhat ReCore Fragment Index files are provided with ReCore/LeadIT?
    Below, we have listed ReCore Fragment Indices which are ready for you to use in LeadIT/ReCore. Please mind that you can most certainly create your own Indices. See the manual, or just write to leadit@biosolveit.de in case you need help. A) The fragment database that is within the download p ...

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