import molecularnodes as mn
mn.register()
mn.assets.install()
can = mn.Canvas()
can.resolution = (860, 540)Styles
This is how we can add styles or representations of our molecular data, so we can actually see something.
mol = (
mn.Molecule.fetch("8H1B")
.add_style("cartoon", material = mn.material.AmbientOcclusion())
.add_style(
style="surface",
selection="is_peptide",
color=(0.6, 0.6, 0.8, 1.0),
material=mn.material.TransparentOutline()
)
)
can.frame_object(mol)
can.snapshot()Fra:1 Mem:149.15M (Peak 159.27M) | Time:00:00.37 | Rendering 1 / 64 samples
Fra:1 Mem:149.24M (Peak 159.27M) | Time:00:00.54 | Rendering 25 / 64 samples
Fra:1 Mem:149.24M (Peak 159.27M) | Time:00:00.66 | Rendering 50 / 64 samples
Fra:1 Mem:149.24M (Peak 159.27M) | Time:00:00.74 | Rendering 64 / 64 samples
Saved: '/var/folders/r4/ym_ncgbd3qddtxqvrmhps8q80000gn/T/tmp6nei5_fl/snapshot.png'
Time: 00:00.85 (Saving: 00:00.09)
mol.styles[0].remove()
can.snapshot()Fra:1 Mem:103.62M (Peak 116.25M) | Time:00:00.12 | Rendering 1 / 64 samples
Fra:1 Mem:103.55M (Peak 116.25M) | Time:00:00.26 | Rendering 25 / 64 samples
Fra:1 Mem:103.62M (Peak 116.25M) | Time:00:00.38 | Rendering 50 / 64 samples
Fra:1 Mem:103.55M (Peak 116.25M) | Time:00:00.46 | Rendering 64 / 64 samples
Saved: '/var/folders/r4/ym_ncgbd3qddtxqvrmhps8q80000gn/T/tmpqfwek67v/snapshot.png'
Time: 00:00.51 (Saving: 00:00.03)
(
mol
.add_style('ribbon', selection="is_peptide")
.add_style('surface', selection="is_nucleic")
)
mol.styles[1].backbone_radius = 1.5
mol.styles[1].quality = 5
mol.styles[1].material = mn.material.AmbientOcclusion()
can.snapshot()Fra:1 Mem:170.55M (Peak 195.86M) | Time:00:00.18 | Rendering 1 / 64 samples
Fra:1 Mem:170.55M (Peak 195.86M) | Time:00:00.30 | Rendering 25 / 64 samples
Fra:1 Mem:170.61M (Peak 195.86M) | Time:00:00.42 | Rendering 50 / 64 samples
Fra:1 Mem:170.55M (Peak 195.86M) | Time:00:00.50 | Rendering 64 / 64 samples
Saved: '/var/folders/r4/ym_ncgbd3qddtxqvrmhps8q80000gn/T/tmpqhhgz9j5/snapshot.png'
Time: 00:00.53 (Saving: 00:00.02)
import bpy
can.scene_reset()
mol = (
mn.Molecule.fetch("9EYM")
.add_style("cartoon", material = mn.material.AmbientOcclusion(), selection = "is_peptide")
.add_style("ball_and_stick", selection=mn.entities.MoleculeSelector().not_peptide())
)
bpy.context.scene.camera.rotation_euler = (3.14, 0, 0)
mol.styles[1].bond_find = True
can.frame_object(mol)
can.engine = mn.scene.Cycles(samples=32)
can.snapshot()Fra:1 Mem:138.17M (Peak 180.21M) | Time:00:00.05 | Mem:0.02M, Peak:0.02M | Scene, ViewLayer | Synchronizing object | 9EYM
Fra:1 Mem:161.65M (Peak 180.21M) | Time:00:00.06 | Mem:0.02M, Peak:0.02M | Scene, ViewLayer | Initializing
Fra:1 Mem:119.99M (Peak 180.21M) | Time:00:00.07 | Mem:0.02M, Peak:0.02M | Scene, ViewLayer | Updating Images | Loading forest_cave_1k.hdr
Fra:1 Mem:112.28M (Peak 180.21M) | Time:00:00.09 | Mem:8.02M, Peak:8.02M | Scene, ViewLayer | Waiting for render to start
Fra:1 Mem:112.29M (Peak 180.21M) | Time:00:00.09 | Mem:8.02M, Peak:8.02M | Scene, ViewLayer | Loading render kernels (may take a few minutes the first time)
Fra:1 Mem:112.29M (Peak 180.21M) | Time:00:00.14 | Mem:8.02M, Peak:8.02M | Scene, ViewLayer | Updating Scene
Fra:1 Mem:112.29M (Peak 180.21M) | Time:00:00.14 | Mem:8.02M, Peak:8.02M | Scene, ViewLayer | Updating Shaders
Fra:1 Mem:112.37M (Peak 180.21M) | Time:00:00.14 | Mem:8.03M, Peak:8.03M | Scene, ViewLayer | Updating Procedurals
Fra:1 Mem:112.37M (Peak 180.21M) | Time:00:00.14 | Mem:8.03M, Peak:8.03M | Scene, ViewLayer | Updating Background
Fra:1 Mem:112.37M (Peak 180.21M) | Time:00:00.14 | Mem:8.03M, Peak:8.03M | Scene, ViewLayer | Updating Camera
Fra:1 Mem:112.37M (Peak 180.21M) | Time:00:00.14 | Mem:8.03M, Peak:8.03M | Scene, ViewLayer | Updating Meshes Flags
Fra:1 Mem:112.37M (Peak 180.21M) | Time:00:00.14 | Mem:8.03M, Peak:8.03M | Scene, ViewLayer | Updating Objects
Fra:1 Mem:112.37M (Peak 180.21M) | Time:00:00.14 | Mem:8.03M, Peak:8.03M | Scene, ViewLayer | Updating Objects | Copying Transformations to device
Fra:1 Mem:112.38M (Peak 180.21M) | Time:00:00.14 | Mem:8.43M, Peak:8.43M | Scene, ViewLayer | Updating Objects | Applying Static Transformations
Fra:1 Mem:112.38M (Peak 180.21M) | Time:00:00.14 | Mem:8.43M, Peak:8.43M | Scene, ViewLayer | Updating Particle Systems
Fra:1 Mem:112.38M (Peak 180.21M) | Time:00:00.14 | Mem:8.43M, Peak:8.43M | Scene, ViewLayer | Updating Particle Systems | Copying Particles to device
Fra:1 Mem:112.38M (Peak 180.21M) | Time:00:00.14 | Mem:8.43M, Peak:8.43M | Scene, ViewLayer | Updating Meshes
Fra:1 Mem:115.51M (Peak 180.21M) | Time:00:00.14 | Mem:8.43M, Peak:8.43M | Scene, ViewLayer | Updating Mesh | Computing attributes
Fra:1 Mem:126.84M (Peak 180.21M) | Time:00:00.14 | Mem:8.54M, Peak:8.54M | Scene, ViewLayer | Updating Mesh | Copying Attributes to device
Fra:1 Mem:115.51M (Peak 180.21M) | Time:00:00.20 | Mem:19.65M, Peak:19.65M | Scene, ViewLayer | Updating Geometry BVH Mesh 1/1 | Building BVH
Fra:1 Mem:115.52M (Peak 180.21M) | Time:00:00.20 | Mem:19.65M, Peak:19.65M | Scene, ViewLayer | Updating Geometry BVH Mesh 1/1 | Packing BVH triangles and strands
Fra:1 Mem:115.52M (Peak 180.21M) | Time:00:00.20 | Mem:19.65M, Peak:19.65M | Scene, ViewLayer | Updating Geometry BVH Mesh 1/1 | Packing BVH nodes
Fra:1 Mem:115.52M (Peak 180.21M) | Time:00:00.20 | Mem:19.65M, Peak:19.65M | Scene, ViewLayer | Updating Scene BVH | Building
Fra:1 Mem:115.53M (Peak 180.21M) | Time:00:00.20 | Mem:19.65M, Peak:19.65M | Scene, ViewLayer | Updating Scene BVH | Building BVH
Fra:1 Mem:127.38M (Peak 180.21M) | Time:00:00.22 | Mem:19.65M, Peak:19.65M | Scene, ViewLayer | Updating Scene BVH | Packing BVH triangles and strands
Fra:1 Mem:128.17M (Peak 180.21M) | Time:00:00.22 | Mem:19.65M, Peak:19.65M | Scene, ViewLayer | Updating Scene BVH | Packing BVH nodes
Fra:1 Mem:127.77M (Peak 180.21M) | Time:00:00.22 | Mem:19.65M, Peak:19.65M | Scene, ViewLayer | Updating Scene BVH | Copying BVH to device
Fra:1 Mem:121.65M (Peak 180.21M) | Time:00:00.23 | Mem:25.81M, Peak:25.81M | Scene, ViewLayer | Updating Mesh | Computing normals
Fra:1 Mem:130.00M (Peak 180.21M) | Time:00:00.23 | Mem:25.81M, Peak:25.81M | Scene, ViewLayer | Updating Mesh | Copying Mesh to device
Fra:1 Mem:121.65M (Peak 180.21M) | Time:00:00.23 | Mem:34.22M, Peak:34.22M | Scene, ViewLayer | Updating Objects Flags
Fra:1 Mem:121.64M (Peak 180.21M) | Time:00:00.23 | Mem:34.23M, Peak:34.23M | Scene, ViewLayer | Updating Primitive Offsets
Fra:1 Mem:121.64M (Peak 180.21M) | Time:00:00.23 | Mem:34.24M, Peak:34.24M | Scene, ViewLayer | Updating Images
Fra:1 Mem:121.64M (Peak 180.21M) | Time:00:00.23 | Mem:34.24M, Peak:34.24M | Scene, ViewLayer | Updating Camera Volume
Fra:1 Mem:121.64M (Peak 180.21M) | Time:00:00.23 | Mem:34.24M, Peak:34.24M | Scene, ViewLayer | Updating Lookup Tables
Fra:1 Mem:121.55M (Peak 180.21M) | Time:00:00.23 | Mem:34.33M, Peak:34.33M | Scene, ViewLayer | Updating Lights
Fra:1 Mem:121.55M (Peak 180.21M) | Time:00:00.23 | Mem:34.33M, Peak:34.33M | Scene, ViewLayer | Updating Lights | Importance map
Fra:1 Mem:121.54M (Peak 377.55M) | Time:00:00.50 | Mem:98.40M, Peak:258.35M | Scene, ViewLayer | Updating Lights | Computing tree
Fra:1 Mem:121.54M (Peak 377.55M) | Time:00:00.59 | Mem:123.06M, Peak:258.35M | Scene, ViewLayer | Updating Integrator
Fra:1 Mem:121.54M (Peak 377.55M) | Time:00:00.59 | Mem:124.06M, Peak:258.35M | Scene, ViewLayer | Updating Film
Fra:1 Mem:121.63M (Peak 377.55M) | Time:00:00.59 | Mem:123.97M, Peak:258.35M | Scene, ViewLayer | Updating Lookup Tables
Fra:1 Mem:121.54M (Peak 377.55M) | Time:00:00.59 | Mem:124.06M, Peak:258.35M | Scene, ViewLayer | Updating Baking
Fra:1 Mem:121.54M (Peak 377.55M) | Time:00:00.59 | Mem:124.06M, Peak:258.35M | Scene, ViewLayer | Updating Device | Writing constant memory
Fra:1 Mem:121.57M (Peak 377.55M) | Time:00:00.60 | Mem:124.06M, Peak:258.35M | Scene, ViewLayer | Loading denoising kernels (may take a few minutes the first time)
Fra:1 Mem:121.57M (Peak 377.55M) | Time:00:00.61 | Mem:2908.07M, Peak:2908.07M | Scene, ViewLayer | Sample 0/32 (Using optimized kernels)
Fra:1 Mem:121.57M (Peak 377.55M) | Time:00:01.30 | Remaining:00:21.26 | Mem:3058.38M, Peak:3058.38M | Scene, ViewLayer | Sample 1/32 (1 kernels to optimize)
Fra:1 Mem:184.85M (Peak 377.55M) | Time:00:04.89 | Mem:3058.40M, Peak:3105.87M | Scene, ViewLayer | Sample 32/32 (1 kernels to optimize)
Fra:1 Mem:184.85M (Peak 377.55M) | Time:00:04.89 | Mem:3058.40M, Peak:3105.87M | Scene, ViewLayer | Finished
Saved: '/var/folders/r4/ym_ncgbd3qddtxqvrmhps8q80000gn/T/tmpuls0bjwk/snapshot.png'
Time: 00:05.05 (Saving: 00:00.12)
