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| Search Results for "docking" |
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There were 12 questions found for your query:
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 What 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 ...
- Which 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:
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- How can I use the information in the decrypted static data files?
Decryption is not allowed in evaluation mode. Please contact us if this represents a severe hurdle for your evaluation.Start LeadIT in commandline mode (leadit --commandline).An encrypted file loo ...
- How 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 e ...
- How can I use a different scoring function in LeadIT than the Boehm function?
In your installation directory, you will find a subfolder example/static_dataWe have prepared several geometry*dat files there which you can tell LeadIT to use.To this end, please:Go to the dial ...
- Why is my score so strongly geometry dependent?
The reason for such score differences that you observe are due to an inherent problem of the FlexX scoring model rather than actually being a bug. Score differences of +/- 2 units are actually qui ...
- What is the meaning of the similarity index in FlexX
This similarity value has nothing to do with the FTrees similarity. It is very similar to the RMSD value given in the previous column. The RMS value however, is strictly restricted to calculate ...
- Delocalisation of formal charges
Release 3 In Release 3, you can edit how ligands are initialized using the Ligands&Libraries dialog. After loading an input file, there is an icon which looks like a pencil. Click t ...
- How to force amides to be treated as planar?
If you feel that amides in your particular application should be treated as planar, you can force them to be so by adjusting the corresponding section in the static data file torsion.dat.
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- HowTo: Rescoring with FlexX
Start LeadIT in commandline mode: leadit --commandlineIt 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/ANA ...
- License request rejected although license server running
Problem:We are running LeadIT, presently only one active user, and are having license issues. The workstation can connect to the license server and it shows the licenses we have paid for. When the ...
- What 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 wr ...
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© BioSolveIT GmbH, 2012 |
Last modified Friday, 18. May 2012 08:45 CEST by WebMaster |
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