SAMSON Forum
    • Login
    • Search
    • Recent
    • Tags
    • Popular
    • SAMSON Connect
    • Get SAMSON
    1. Home
    2. Recent
    Log in to post
    • All categories
    • All Topics
    • New Topics
    • Watched Topics
    • Unreplied Topics
    • C

      Selection of bond locations
      Feature requests • • Cyril

      2
      0
      Votes
      2
      Posts
      3029
      Views

      DmitriyMarin

      Thank you @Cyril for the suggestion. We will see whether to add it as a feature in the next version of SAMSON or implement it as a SAMSON Element.

      For now, you can use Python Scripting in SAMSON. To use the Python Scripting SAMSON Element you will need to have a specific version of Python installed. Please, check the Python Scripting installation instructions for SAMSON. You can also check the SAMSON Python Scripting tutorials and documentation.

      The sample script for this task can be found below. You can either copy it inside of the Python Scripting console in SAMSON, or save it as a .py file and open this file in SAMSON when you need to execute this script.

      ''' This example shows how to select bonds which center lies in between of two planes: z_min and z_max If you want to select bonds which center lies on a specific plane, just set z_min=z_max ''' # Get an indexer of all bonds in the active document. Here we use SAMSON Node Specification Language to get only bonds allBondsIndexer = SAMSON.getNodes('node.type bond') # two planes: 1.7A and 2.3A z_min = Quantity.angstrom(1.7) z_max = Quantity.angstrom(2.3) for bond in allBondsIndexer: # a loop over an indexer # compute the z-axis center of the bond bondCenterZ = (bond.leftAtom.getZ() + bond.rightAtom.getZ()) / 2.0 # check whether the bond lies in between of desired planes if bondCenterZ >= z_min and bondCenterZ <= z_max: # select the bond by setting the selectionFlag to True bond.selectionFlag = True allBondsIndexer.clear() # clear an indexer
    • C

      New function: invert selection
      Feature requests • • Cyril

      2
      0
      Votes
      2
      Posts
      2406
      Views

      DmitriyMarin

      There is an invert selection feature in SAMSON: right-click on the selection (either in the Document view or in the viewport), and in the context menu select Invert selection
      0_1549532475757_InvertSelection.png

    • C

      Statistic on current selection
      Feature requests • • Cyril

      4
      0
      Votes
      4
      Posts
      3663
      Views

      C

      It works great ! Thanks a lot !

    • A

      Downloading element with "Academic" access
      SAMSON Extensions • • Antoniya

      7
      0
      Votes
      7
      Posts
      5279
      Views

      Andrea 0

      wonderful!
      Thanks

    • A

      SAMSON SDK doesn't see any elements
      Getting started • • Andrii

      4
      0
      Votes
      4
      Posts
      3221
      Views

      A

      Thanks, SAMSON SDK 7 works properly, but v6 still not (I've checked all requirements and followed installation steps from the instruction). Still, I've got working version of SDK, so thank you again)

    • S

      Solved academic elements
      Getting started • • sudhir

      2
      0
      Votes
      2
      Posts
      2443
      Views

      Stephane

      Sorry about the delay. Your academic email ID has been confirmed and you now have access to academic elements.

    • Laëtitia

      Import new "version" of the molecule
      GUI • • Laëtitia

      7
      0
      Votes
      7
      Posts
      5099
      Views

      Stephane

      Ok thanks! We'll see how we could do that!

    • D

      Installation of Python scripting element
      SAMSON Extensions • • Diana 0

      12
      0
      Votes
      12
      Posts
      8000
      Views

      DmitriyMarin

      Great! Diana, thank you very much for providing good descriptions of your problem and solution - it might help others experiencing the same problem.

      Sorry for the issue. Yes, the Python version is important since the Python Scripting Element is linked to a particular version of the Python library.

    • E

      Receiving signal when creating new Document
      Apps • • Elisa

      4
      0
      Votes
      4
      Posts
      3108
      Views

      E

      Thank you both, I will use the timer as a workaround for now.

      Seems 0.8.0 is going to have a lot of interesting changes :)

    • Laëtitia

      Get the atom xyz file coordinates
      Modeling • • Laëtitia

      5
      0
      Votes
      5
      Posts
      3827
      Views

      Laëtitia

      oh you're right there is a 100 coefficient, it's giving me the coordinate in pm. Didn't think about that.
      thank you very much.

    • Laëtitia

      Build a Debug mode on linux
      Getting started • • Laëtitia

      30
      0
      Votes
      30
      Posts
      27581
      Views

      DmitriyMarin

      Good luck @Laëtitia !
      You can check https://github.com/1A-OneAngstrom/SAMSON-Developer-Tutorials/tree/develop for some SAMSON Elements Samples. We will be adding more soon.

      Feel free to ask questions!

    • L

      Order of elements in Package my element module
      SAMSON Extensions • • Leonard

      1
      0
      Votes
      1
      Posts
      2086
      Views

      No one has replied

    • E

      Inheriting fields in the inspector class and vector fields
      Modeling • • Elisa

      3
      1
      Votes
      3
      Posts
      2653
      Views

      E

      Dear Stephane,

      Thanks for the quick reply. I will add the position in three attributes for now. Looking forward to 0.8.0!

    • S

      Create figure as published in ART-RRT: As-Rigid-As-Possible Exploration of Ligand Unbinding Pathways
      SAMSON Extensions • • Surendra

      6
      0
      Votes
      6
      Posts
      5114
      Views

      S

      Dear Dimitriy,
      Thank you very much.

      Best Regards,

      Surendra

    • Laëtitia

      Samson SDK failed to install
      Getting started • • Laëtitia

      9
      0
      Votes
      9
      Posts
      5261
      Views

      DmitriyMarin

      Great! You can check the tutorial on building a SAMSON Element on Linux.
      Feel free to ask questions if you experience any problems!

      Best,
      Dmitriy Marin

    • L

      Computing interactions in case of atoms' mutations
      Simulation • • Leonard

      3
      0
      Votes
      3
      Posts
      2746
      Views

      L

      It seems it works. Thanks.

    • L

      Get the position/index of an atom in the document view
      Modeling • • Leonard

      3
      0
      Votes
      3
      Posts
      2964
      Views

      L

      Perfect thanks.

    • Laëtitia

      Where is element genrator?
      Getting started • • Laëtitia

      7
      0
      Votes
      7
      Posts
      4573
      Views

      Laëtitia

      I thought I did but you're right now it's fine.
      Thanks!

    • I

      Starting simulations in Win 10
      Simulation • • Ihosvany

      3
      0
      Votes
      3
      Posts
      2841
      Views

      Stephane

      Dear Camps,

      I thought I'd clarify what's going on with Brenner and ASED-MO. While SAMSON and numerous SAMSON Elements are and will remain free forever, both for academia and industry, some SAMSON Elements will now have a commercial license (for industry and / or academia).

      In effect, SAMSON Connect is becoming a marketplace for molecular modeling, where developers have the possibility to integrate and commercialize their tools (think App store for molecular modeling, except everything is integrated into a single, universal platform which makes it possible to combine modules together and gives new possibilities). Our goal is to contribute to the development of an integrated ecosystem for molecular modeling, where users can install tools in a few clicks, have them all integrated in the same platform, are able to combine them, pipeline them, etc. Since SAMSON has an open architecture, and the SAMSON API makes it possible for anyone to integrate existing tools, create new ones from scratch, develop new force fields, create new visualizations, etc., you can imagine the huge possibilities the SAMSON model gives.

      As with other marketplaces (iOS, Android, etc.), many SAMSON Elements are and will continue to be free, and new free SAMSON Elements will continue to be published. However, our goal with this hybrid economic model is to reach the best of both worlds: serve the molecular modeling community while supporting the development of the best possible platform.

      At the moment, anyone can get a free month of some commercial SAMSON Elements (including Brenner) by answering the short survey at https://forms.office.com/Pages/ResponsePage.aspx?id=Cg7MSY8KzkinPF492orBMZM0kpSnVmtKp3madpYYjexUQ0c5V1Q3VUEwVEtHQlhSWVVJRUFGN1lVQy4u.

      At the end of the survey, they can choose which SAMSON Element they want among:

      Brenner interaction model (interactive simulation for carbon nanotubes, graphene, etc.) Crystal creator (build complex crystals structures) Normal modes advanced (non-linear normal modes analysis for proteins binding sites)

      and we'll add it to their account (registering is and will always be free, and SAMSON itself will always be free).

      Best,

      Stephane

    • B

      No secondry structure visualization ?
      SAMSON Extensions • • Bastien

      3
      0
      Votes
      3
      Posts
      3079
      Views

      Admin

      Sorry for the issue!