Thank you so much for helping me. I tried to link exactly Qt5.12.5 (my own version is 5.14.1) so it works now. Again, thank you so much.

Best regards,

Dong.

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

Thanks Ibrahima! Let us know if we can help in any way.

@Matteo-1

Great! Thank you very much for informing! I am glad it solved the issue.

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

Sorry, SAMSON needs a 64-bit computer to run.

Dear @Yair-Augusto, Adenita was just updated and this problem should have been fixed. Please let me know if it persists or you find new ones.

Best regards,

Elisa

@shozeb Here is the process to uninstall SAMSON :

delete : rm -rf ~/.local/share/OneAngstrom/
delete : rm -rf ~/OneAngstrom/
delete : rm -rf ~/Documents/OneAngstrom/
delete : rm -rf ~/.config/OneAngstrom/
delete : rm -rf ~/.config/NANO-D (if exists)

After that you may try to reinstall SAMSON as described in the documentation.

Don't hesitate to contact us again if the issue is not solved. Users are our priority.

Jocelyn

@emmanuel Ok, maybe the "Get the SDK" button is not clear.
How to download SAMSON SDK is explained at the end of the page you mention first :
https://documentation.samson-connect.net/developers/latest/page_installation.html#SDKInstallationStepsDownloadingSDK

Sorry for the issue.

Jocelyn

@Andrew-Rosen ,
If you have any other feature requests or suggestions, please, do not hesitate to contact us via this Forum (SAMSON > Feature requests), e-mail, or the Feedback form within SAMSON.

Dear John,

As Stephane pointed out, Adenita is for now compatible just with SAMSON 0.8.5 or 0.7.0, for Windows and Linux. But there are plans to port it to SAMSON 2020 and Mac, I expect this versions to be available during April this year.

Best regards,

Elisa

Hello,

Thanks for your interest in SAMSON! If you’re on Windows, you will need to install the latest runtime from Microsoft. They are available here: https://support.microsoft.com/en-us/help/2977003/the-latest-supported-visual-c-downloads.

You should install vc_redist.x64.exe available from that page.

Best regards,

Stephane

@carmine Thank you very much for your feedback!

We will add other box types in one of the next updates of the GROMACS Wizard.

Options provided in the Additional parameters have bigger priority then options specified in the GUI. It is true, it would be nice to highlight them in some way.

It does! Thanks a lot.

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.

Hello Emmanuel! We were actually talking about you just a few hours ago because we saw your posts about your VR class! It's awesome!

You can actually already move molecules with one hand if you use the "Move" mode (which moves stuff) instead of the "Navigate" mode (which moves yourself).

We decided to use both hands for navigation because we wanted the user to be able to scale as well as rotate / translate the view (7 degrees of freedom), and our tests have shown that this is what is familiar to many people (who use two fingers for scaling on phones). Using both hands and spreading arms / bringing arms closer changes your scale relatively to the molecules. When you move both hands without changing the distance between them you can rotate, translate, etc. Changing the scale in an intuitive way was really important to us to address many different scales as in the virus demo. In the frame below, the user height is around 0.1 microns:

0_1571932063809_35c2d463-2005-4034-8590-7d01aed44b7a-image.png

while in this frame (inside the virus) the user height is about 1 nanometer:
0_1571932649700_8f1fb7ac-5a84-4d25-8cf0-e90e2fd9775a-image.png
(sorry for the video compression blur).

To move molecules instead of yourself, you use the thumbpad in "Move mode" (the two other thumbpad modes are "Add" and "Erase"), and you choose the selection filter that corresponds to what you want to move. This way, you can move a molecule with a single hand (or two molecules with two hands).

For example, in the Selection menu, choose the selection filter called "Structural models" as in the figure below:
0_1571931319443_3aac795a-8757-4f3c-b47f-a644a8b09d68-image.png

Depending on your structures, you might want to select other levels (e.g. molecules, chains, etc., or the default "atoms and bonds").

Then, using the thumbpad, you can rotate / translate when you press on the thumbpad. This is demonstrated e.g. in this video where the user manipulates two carbon nanotubes at the same time to stick them together during interactive simulation. Each hand independently moves each nanotube.
0_1571931699541_991a4089-53fb-46fc-aac5-9d1ea04e8fa7-image.png.

You can have different modes in each hand (e.g. Add on the left hand, Move on the right hand, etc.).

I hope this helps. I'll be happy to talk more about it, as well as about extensions and applications.

Best,

Stephane Redon