No way for now, thanks for the idea :).

Hello, could you please tell us which graphics card you have? This seems to indicate a GPU issue.

Thank you @Emmanuel for reporting these issues. We have fixed them - the Elements will be updated automatically once you launch SAMSON.

Dear @Emmanuel ,

Thanks for reporting this issue! It's now fixed, and the fix will be available with SAMSON 2020 R2, which will be deployed in a few days.

Dear @Emmanuel ,

Thanks for reporting this issue! It's now fixed, and the fix will be available with SAMSON 2020 R2, which will be deployed in a few days.

Thanks for reporting this bug! It's now fixed, and the fix will be available with SAMSON 2020 R2, which will be deployed this monday (may 11, 2020).

Hi Clement,

To listen to the document closed signal I connect my nodes to a custom signal like this:

SB_FOR(SBNode* node, atomIndexer) node->connectBaseSignalToSlot(this, SB_SLOT(&SENormalModesAnalysisApp::onBaseEvent));

Then, in my onBaseEvent function I catch the NodeEraseBegin event which corresponds to the signal emitted when the document is closed or the nodes erased.

void SENormalModesAnalysisApp::onBaseEvent(SBBaseEvent* event) { if (event->getType() == SBBaseEvent::NodeEraseBegin) { //disconnet the connected nodes SB_FOR(SBNode* node, atomIndexer) {node->disconnectBaseSignalFromSlot(this, SB_SLOT(&SENormalModesAnalysisApp::onBaseEvent)); } //....// }

Remember to disconnect the connected nodes.
Hope I answered your question,
Yassine

Hello Arturo,

thanks for your interest in SAMSON!
The AutoDock Vina element has been deprecated as it was offering limited functionality (only one ligand at a time). It is still possible to use the AutoDock Vina Extended element for free for 30 days (no credit card needed) and it can do more, including pre-minimization of ligands and docking entire libraries.
Can you please ask your teacher to contact us at contact@samson-connect.net so we can find the best solution to provide access to all students?

Thanks,
Stephane

Adenita needs older versions of SAMSON because it hasn’t been updated yet (you can see this on the element page). You need to reinstall SAMSON and check the box “Install older versions” to install 0.8.5. Also, please check the requirements on the element page.

Thank you @Rahad !
Do you mean the minimization step in the AutoDock Vina Extended module? What error does it show?

As for ligand libraries, AutoDock Vina Extended module supports libraries with ligands in formats that can be opened in SAMSON, including .pdb, .mol2, .sdf, .xyz, etc, but not .mol and .pdbqt for now. You do not need to import all the ligands in SAMSON, you just need to provide the path to the folder with a ligand library.

Hi,
Sorry for the issue the file was not shipped with the SDK.
See : https://documentation.samson-connect.net/developers/latest/page_installation.html
To launch SAMSON just execute SAMSON-Core after doing the step inside the previous link.

If the file is absent you can create SAMSON-Core.command with the following content

#!/bin/sh

echo "saving context"
SAVED_DYLD_LIBRARY_PATH=$DYLD_LIBRARY_PATH
SAVED_DYLD_FRAMEWORK_PATH=$DYLD_FRAMEWORK_PATH
SAVED_DYLD_FALLBACK_LIBRARY_PATH=$DYLD_FALLBACK_LIBRARY_PATH

echo "launching SAMSON-Core"
script_dir=$(cd "$(dirname "$0")";pwd)
cd "$script_dir"

echo "You need to add ~/Qt5.12.5/5.12.5/clang_64/lib folder in your DYLD_FRAMEWORK_PATH or edit this file"

#export DYLD_FRAMEWORK_PATH=~/Qt5.12.5/5.12.5/clang_64/lib or the one corresponding to your setup
export DYLD_LIBRARY_PATH=$script_dir
export DYLD_FALLBACK_LIBRARY_PATH=$script_dir

./SAMSON-Core #available flags --disablenetwork /--import /--logconsole /--logfile "file" /--logdefaultfile

echo "restoring context"
export DYLD_LIBRARY_PATH=$SAVED_DYLD_LIBRARY_PATH
export DYLD_FRAMEWORK_PATH=$SAVED_DYLD_FRAMEWORK_PATH
export DYLD_FALLBACK_LIBRARY_PATH=$SAVED_DYLD_FALLBACK_LIBRARY_PATH

then execute chmod +x SAMSON-Core.command
then execute chmod +x SAMSON-Core

Jocelyn

I have a structure I would like to alter a bit using Adenita, but whenever I try to select it, it becomes non-responsive and crashes. I've tried using a .json file and a .pdb file and neither is capable of having parts selected. I tried on two different computers, one with a quad-core and one with a 6-core and it still crashed. Is there a way I can perform this on my build? Or is this a software issue that others experienced?

OS: Windows 10
Ver: SAMSON 0.8.5

Hello @Prokop ,

To connect two atoms with a bond, use the Add editor: press on the first atom and draw a bond to the second one and then release. Please see the gif below:
0_1583572262919_Connecting with a bond.gif

Dear @Tadija
This just means that SAMSON was not able to get the name of the GPU but it should have detected it properly. Does SAMSON work properly for you or you experience some problems with graphics?

Dear Sudhir, calculation time depends on the exhaustiveness (the higher the slower, but the more exhaustive the search is), the number of rotatable bonds in the ligands (each rotatable bond adds a search dimension) and the number of cores on your computer (the module takes all cores minus one, so your computer remains responsive). This seems normal.