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    • S

      GROMACS files not seen
      • Sherif 0

      7
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      Votes
      7
      Posts
      2499
      Views

      S

      there is RMSF and hydrogen bond

    • G

      Fatal error trying to use Gromacs Wizard : gro file does not have the number of atoms on the second line
      • Guy

      6
      0
      Votes
      6
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      2786
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      Stephane

      Ok thanks. I'm going to contact you by email for further exchange.

    • T

      Adenita support for SAMSON 1.0
      • Tanish

      2
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      2
      Posts
      1196
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      DmitriyMarin

      Dear @Tanish ,

      Adenita is a third-party extension developed by external developers. Since it is open-source, we started porting it ourselves to the latest SAMSON. The latest SAMSON compared to the versions of SAMSON which support Adenita has a lot of major changes meaning that the porting process will take quite some time especially together with fixing some issues in Adenita. Currently, we cannot give a time estimate since we work on it occasionally in our free time, but we hope it will be ready in the upcoming months.

      We are sorry about the inconvenience.

    • E

      Symmetry Mate editor not seen after installation
      • Eva

      6
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      6
      Posts
      1359
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      Admin

      Awesome, thanks for letting us know!

    • E

      Animation - docking in Gaussian representation
      • Eva

      4
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      Votes
      4
      Posts
      1091
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      DmitriyMarin

      Dear @Eva ,

      We have improved the performance of surface visual models (Gaussian, Solvent Accessible, and Solvent Excluded surfaces) in certain cases. For example, now animations with them should be much faster. The visual models should be automatically updated for you once you restart SAMSON.

    • S

      Autodock Vina PDBQT generation
      • Serena

      4
      0
      Votes
      4
      Posts
      592
      Views

      DmitriyMarin

      Dear @Serena ,
      No, we do not use Open Babel or anything else for that. It is done by the AutoDock Vina Extended module.

    • R

      Normal Mode Analysis -- How to Select Both Receptor and Ligands?
      normal mode receptor+ligand • • Rudy

      2
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      2
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      375
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      Stephane

      Dear Rudy, sorry for the delay. You can simply merge the ligand structure into the receptor structure. Precisely, in the document view, drag the ligand node and drop it onto the receptor node (more generally, you can drag and drop nodes around to reorganize your entries).

      Then, when you select the receptor and compute the normal modes, the ligand will be taken into account.