Macs in Chemistry

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PYMOL Updated

 

Whilst the update to PYMOL was announced as part of the Schrodinger update I thought it deserved a separate blog entry.

Graphics

  • Greater user control over color settings Color settings can be set as hexadecimal, colors, or floats ( [1., 1., 1.])
  • New ‘focalblur’ command
  • New ‘callouts’ for scene annotations

    Usability

  • Improved and extended Filter Wizard

  • New commands Retrieve bond properties with get_bond Load structures from PubChem by SID and CID codes with fetch
  • Improved PDB Loader graphical interface
  • Expanded documentation of settings
  • Access settings and properties from the iterate/alter commands via “s.” and “p.”
  • Improved labels to include customizable connectors to atoms, multiline labels, and more
  • Ability to select atoms by coordinates or by user-defined property
  • New selection keywords: metals, sidechain, backbone
  • CTRL-F to find objects or selections in the Object Menu Panel

    Bug Fixes

  • Dynamic measures now stored in session files

  • Sequence viewer colors fixed
  • Fixed inversion problem with ‘cealign’
  • Improved stability for shader-based rendering

    AxPyMOL

  • New option to embed content within a PowerPoint file

  • Support PowerPoint PPTX file format
  • Improved installer
  • AxPyMOL control displayed as an “Add In” on the PowerPoint Ribbon
  • 32-bit and 64-bit Office Support
  • Embeddable presentation content
  • Initial support for MAE files
  • Shader-based rendering support for volumes and improved graphics
  • Many bug fixes

The compiled PYMOL binaries are available for paid download with different options for academic, industrial and non-profit.

In addition the source code is available for free download. Not all new features make it to the source code right away, but eventually all features will, usually within a few months

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