rsmol (Python)
Headless, scriptable rsmol with a PyMOL-style cmd API. Everything runs on the same engine as
the rsmol desktop app; cmd.save("x.rsmol") produces a session the app opens as is.
from rsmol import cmd
cmd.fetch("1hsg")
cmd.select("pocket", "byres (organic around 5) and polymer")
cmd.show("sticks", "pocket and not name N+C+O")
cmd.color("byelement", "pocket")
d = cmd.distance("h1", "1hsg and chain A and resi 25 and name OD1", "resn MK1 and name O2")
cmd.zoom("organic")
cmd.png("pocket.png", 1600, 1000)
cmd.save("pocket.rsmol")
Build from source with maturin develop --release inside a virtual environment.
1 maintainer
Metadata
1 maintainer
Release files for rsmol 0.1.0
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | Provenance | |
|---|---|---|---|---|
| rsmol-0.1.0.tar.gz | 139.8 kB | With provenance | Details |
Built distributions (wheels)
| File | Reset | |||
|---|---|---|---|---|
| rsmol-0.1.0-cp310-abi3-win_amd64.whl | CPython 3.10 | abi3 | Windows x86-64 | Details |
| rsmol-0.1.0-cp310-abi3-manylinux_2_28_aarch64.whl | CPython 3.10 | abi3 | Linux glibc 2.28+ ARM64 | Details |
| rsmol-0.1.0-cp310-abi3-manylinux_2_17_x86_64.manylinux2014_x86_64.whl | CPython 3.10 | abi3 | Linux glibc 2.17+ x86-64 | Details |
| rsmol-0.1.0-cp310-abi3-macosx_11_0_arm64.whl | CPython 3.10 | abi3 | macOS 11.0+ ARM64 | Details |
| rsmol-0.1.0-cp310-abi3-macosx_10_12_x86_64.whl | CPython 3.10 | abi3 | macOS 10.12+ x86-64 | Details |
Total release size: 20.5 MB
Release files / rsmol-0.1.0.tar.gz
| Download URL | rsmol-0.1.0.tar.gz |
|---|---|
| Size | 139.8 kB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
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| Download URL | rsmol-0.1.0-cp310-abi3-win_amd64.whl |
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| Size | 4.2 MB |
| Tags | CPython 3.10 Windows x86-64 abi3 |
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SHA-256 checksum How to use checksums |
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| Download URL | rsmol-0.1.0-cp310-abi3-manylinux_2_28_aarch64.whl |
|---|---|
| Size | 4.4 MB |
| Tags | CPython 3.10 Linux glibc 2.28+ ARM64 abi3 |
|
SHA-256 checksum How to use checksums |
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BLAKE2b-256 checksum How to use checksums |
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| Download URL | rsmol-0.1.0-cp310-abi3-manylinux_2_17_x86_64.manylinux2014_x86_64.whl |
|---|---|
| Size | 4.4 MB |
| Tags | CPython 3.10 Linux glibc 2.17+ x86-64 abi3 |
|
SHA-256 checksum How to use checksums |
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|---|---|
| Size | 3.6 MB |
| Tags | CPython 3.10 abi3 macOS 11.0+ ARM64 |
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| Download URL | rsmol-0.1.0-cp310-abi3-macosx_10_12_x86_64.whl |
|---|---|
| Size | 3.7 MB |
| Tags | CPython 3.10 abi3 macOS 10.12+ x86-64 |
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SHA-256 checksum How to use checksums |
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