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    • K

      STL Exporter?
      Feature requests • • Kava

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      DmitriyMarin

      Hello @Kava ! Thank you for your interest in SAMSON. As far as we know, no one is currently working on the STL exporter. But this would be a really nice feature. For the efficiency and speed reasons, the Gaussian surface is generated on GPU. Therefore, we don't have direct access to resulting shapes and it won't be that easy to export these shapes. We will see what we can do.

      Another possibility is to program the Gaussian surface on CPU yourself and export the resulting shape in the STL file (see Documentation for developers).

    • C

      Crystal expander
      Feature requests • • Cyril

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      DmitriyMarin

      Thank you for the suggestion, @Cyril !
      Yes, for now, it is possible only with an importer for crystallographic .cif files. There is a possibility to replicate crystals thanks to the Crystal Creator App, but it does not expand them periodically with bond connections. We will see what we can do.

    • E

      Editor names not showing in GUI
      Apps • • Elisa

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      E

      Thanks!! Solved!

    • Laëtitia

      Asynchronous event with QtConcurrent
      GUI • • Laëtitia

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      Laëtitia

      Hi Stephane,

      thanks for your answer, I'll do that then.

      Best

      Laëtitia

    • C

      Selection of bond locations
      Feature requests • • Cyril

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      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

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      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

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      C

      It works great ! Thanks a lot !

    • A

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

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      Andrea 0

      wonderful!
      Thanks

    • A

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

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      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

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      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

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      Stephane

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

    • D

      Installation of Python scripting element
      SAMSON Extensions • • Diana 0

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      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

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      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

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      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

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      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

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      No one has replied

    • E

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

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      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

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      S

      Dear Dimitriy,
      Thank you very much.

      Best Regards,

      Surendra

    • Laëtitia

      Samson SDK failed to install
      Getting started • • Laëtitia

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      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

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      L

      It seems it works. Thanks.