ProPrep 1.20.0

Added

• The structure viewer plays MD trajectories. In the MD Manager's analysis
  menu, "View trajectory in the structure viewer" takes a simulation's
  NetCDF trajectory, runs one cpptraj pass that re-images the solute and,
  if asked, strips water and ions, writes a first-frame PDB and a NetCDF
  with matching atoms, and opens them in the viewer with a Trajectory panel
  (play, pause, frame slider, single-frame step, speed, smooth
  interpolation, loop/once, forward/backward/bounce, stride, superpose on a
  selection, remove/center PBC; space and the arrow keys work when no field
  has focus). NGL reads the NetCDF directly; no format conversion.

Fixed

• MD Manager monitor: a minimization was reported with a "Time (ps)" row
  holding the cycle number; it now shows Cycle, Energy and Max gradient,
  and the analysis overview shows Total Cycles. The "other recent
  simulations" list offered one entry per batch, labelled by the batch
  and reading the newest output anywhere beneath it, so after a later step
  had auto-started it showed that step's numbers under the earlier step's
  name (heating at 4 ps and 76 K under "Energy Minimization"). Every step
  output is now listed separately, labelled batch/step, newest first.

Installers (SHA-256)

Self-contained installers with AmberTools, MODELLER and every dependency; no conda needed. See INSTALL.md.

101ec184f6b0b89b12a76961152540abe925ee503327dbff15001d6000c60fa4  ProPrep-1.20.0-Linux-x86_64.sh
3bb1d802057b2470f17ba844baff3e26429236b53a96bcfad20b09b738dac9ca  ProPrep-1.20.0-MacOSX-arm64.sh
e8571652b5c792a3532859f71785e77c59f03a2503d056f7115ba4b8a1d4e968  ProPrep-1.20.0-MacOSX-x86_64.sh