trans
knowledge base
trans
contact
impressum
legal notice
BioSolveIT
The Premier Scientific Solution Provider
trans
Knowledgebase Home > FlexX | Glossary | Favorites | Support Knowledgebase Home | Glossary | Favorites | Support
Search the Knowledgebase Browse by Category

[Advanced Search]
View Questions by Category
Category Icon Chemical Issues (20)
Category Icon First Steps with FlexX (7)
Category Icon General Questions (10)
Category Icon HowTo (14)
Category Icon Technical Issues (17)
FlexX rss button
There were 8 questions found in this category:
  1. questionAre FlexX Units kJ/mol or kcal/mol
    FlexX uses the units the Boehm LUDI paper works with; these are kJ/mol.However, for example, the max. achievable value of 4.7 kJ/mol per hydrogen bond is not the absolute value of the hydrogen bond energy (that would be a bit small) but instead, it corresponds to the contribution of the hydrogen ...

  2. 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 from the FlexX/FlexSIS installation directory.After this, please have a look at the file flexx_trace.out.If th ...

  3. 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 being able to find the executable in parallel computing mode.For remedy:Please check the entry FLEXX ( ...

  4. 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 ...

  5. questionHowto: Large Scale Virtual Screening with FlexX or FlexSIS (Howto).
    Large Scale Screening with FlexX/-SIS   This applies to FlexX and FlexSIS Release 3 and newer.There are three stages we will explain below.   Part 1: Receptor Preparation Part 2: Screening Part 3: Parallel Processing (requires more than 1 license and Linux/Unix)   General Approach: Use the grap ...

  6. 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 ...

  7. questionWhat is the difference between CORINA and CORINA_F?
    CORINA_F and CORINA are two different tools both developed by Molecular Networks GmbH. All functionality covered by CORINA-F is also in CORINA . For FlexX/SIS docking, CORINA_F is sufficient as long as you have another tool for minimizing input structures prior to docking. CORINA -F can be obta ...

  8. questionWindows Vista: Sometimes, the program crashes without any warnings.
    ReCore and FlexX/-SIS in GUI modes (Release 3.1 and newer) may crash with some input molecules. All of the problems like this could be resolved so far by updating graphics card drivers. Vista provides an automatic way of doing this; here is the procedure to follow:1) right click on desktop - hi ...

Last modified Saturday, 31. Jul 2010 13:45 CEST by WebMaster