What's new?

What are the next milestones? We are currently working on autodetection of delta- and offset time, automated session generation and speeding up the trajectory and file handling.

Release v0.3.5:

  • [MDsrv] available at conda-forge channel
  • [MDsrv] WINDOWS support (tested for conda)
  • [MDsrv] trajectory support switched from simpletraj to MDTraj with MDAnalysis as extra requirement
  • [NGL] update to version 0.10.5-18 including bugfixes related to superpositioning, updated remove trajectory formats, IE11 workaround

  • Release v0.3.4:

  • [MDsrv] conda support via ngl channel
  • [MDsrv] delta time and time offset as CMD variables

  • Release v0.3.3:

  • [NGL] update to version 0.10.5-15 incl. bugfixes related to interpolation, change superpositioning on initial frame, add bounce direction for trajectory player, animations
  • [MDsrv] script examples according to new NGL version
  • [MDsrv] conda support
  • [MDsrv] netcdf, gro, lammpstrj, hdf5, dtr, arc tng trajectory support from mdtraj

  • Release v0.3.2:

  • [NGL] movable popup windows
  • [NGL] show simulation length in time units

  • Release v0.3.1 is out including psf, nc, dcd, gro, trr and xtc support for client side loading.

    If you have any wishes, ideas or would like to contribute, get in touch with us!

    Features, supported formats and operating systems

    • basic rendering: depth cueing/fog, front/back cutting planes
    • adv. rendering: anti aliasing (MSAA, SSAA), material parameters
    • basic representations: cartoon, ball + stick, spacefill, surface, line, isosurface, slice and more
    • adv. representations: HyperBall, Rope
    • structure formats: mmCIF, PDB, PQR, GRO, SDF, MOL2, MMTF
    • topology formats: PSF, PRMTOP, TOP
    • trajectory formats:
      • client-side loading: DCD, NCTRAJ, TRR, XTC
      • server-side loading: DCD, NCTRAJ/NetCDF, TRR, XTC, LAMMPSTRJ, XYZ, BINPOS, HDF5, DTR, ARC, TNG, GRO (+ MDCRD/CRD, DMS, TRJ, ENT, NCDF if MDAnalysis is installed)
    • volume formats: MRC/MAP/CCP4, DX/DXBIN, CUBE, BRIX/DSN6, XPLOR/CNS
    • scripting language: JavaScript
    • basic analysis tools: distance measurements, info about picked atom
    • on-the-fly trajectory processing: interpolation (linear, spline), centering, approx. PBC removal
    • environments: web browser (desktop, mobile), no further installation required
    • operating systems:
      • viewing: Linux, MacOS, Windows, Android
      • sharing: Linux, MacOS, Windows