|
|
 |
|
Welcome to our knowledge base. To find what you're after, use the search box below or choose a category to view listed questions.
|
 Search the Knowledgebase |
|
 Browse by Category |
|
|
|
|
|
| View Questions by Category |
|
There are no sub categories
|
Technical Issues
|
There were 17 questions found in this category:
 Are there any examples or documentation for applying python with FlexX?
Attached you can find the appropriate pages and three example scripts.
- FATAL ERROR: Size limit exceeded: 158656 kB.
After each (non-global) command, FlexX checks its own memory requirement. If this is higher than SIZE_LIMIT and SIZE_LIMIT is greater than zero, FlexX automatically terminates. SIZE_LIMIT is measured in kilobytes. Memory checking is currently only available under the Solaris OS. The size limit ...
- FlexX/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 ( ...
- How can I use the information in the decrypted static data files?
Release 3:Start FlexX/-SIS in commandline mode (flexx --commandline); then proceed as described below.Decryption is not allowed in evaluation mode. Please contact us if this represents a severe hurdle for your evaluation.Release 2:An encrypted file looks like this: #encrypt flexx 11fcfeee9f59f07 ...
- How 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 ...
- HowTo: Determine the processor ID
There are several ways to determine the BIOSOLVE processor ID 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 Windo ...
- HowTo: 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 ...
- HowTo: 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 ...
- HowTo: set up PVM
1) find out where the PVM installation is, e.g.: sol64 /home/flex/session_9_scripting> which pvm (results for example in: ) /usr/local/lib/pvm3/64/lib/pvm the (underlined) part before lib will usually be the $PVM_ROOT setting 2) edit your .cshrc to reflect proper PVM settings This is w ...
- I 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 ...
- Is it possible to redirect the FlexX output to a python data structure or a string?
We are sorry to say that there is currently no way to redirect the FlexX output to a python data structure or a string. We are currently working on such a solution. This first version of pyFlexX is mainly meant as a substitute for the FlexX scripting language and it has almost the same functi ...
- Is the license restricted to a certain CPU, and: what is the difference between a node-locked and a floating license?
A license can either be bound to a single node (= "node locked license") or to a dedicated license server (= "floating license"). A floating license allows a flexible administration and usage as it ishosted by a server and distributed to compute clients on demand. Such a servermay manage the li ...
- Troubleshooting: FlexX's parallel runs don't go as I expect
execute pvm at the command line type add <a hostename> does this work properly? if not: · check your PVM installation · clean up all pvm files in /tmp · kill all pvm daemons on all relevant machines if yes: · check the paths to the FlexX executable in config.d ...
- Ubuntu Graphics Bug
Due to a bug in the Ubuntu generic graphics card drivers we could reproduce an X-server termination resulting in a new login screen. The graphics card drivers shipped with Ubuntu do not correctly handle the "Direct Rendering Infrastructure". For remedy, please install a native driver from ...
- What is the basic principle of parallel computing with BioSolveIT Software?
Running FlexX/S or FTrees in parallel mode is easy! We use PVM (parallel virtual machine) to realize parallel computing. PVM is a server-client-like architecture. you must define (in config.dat): server node compute nodes compute priorities start a PVM daemon (pvmd) on the server node th ...
- 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 long as you have another tool for minimizing input structures prior to docking. CORINA -F can be obta ...
- Windows 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 ...
|
|
|
© BioSolveIT GmbH, 2010 |
Last modified Friday, 10. Sep 2010 09:45 CEST by WebMaster |
|
