mrc 0.2.5

MRC-2014 file format reader/writer for cryo-EM — SIMD-accelerated, mmap-enabled
Documentation

mrc

Rust License: MIT Crates.io Docs.rs

Type-safe MRC-2014 file format reader/writer for Rust

A high-performance, memory-efficient library for reading and writing MRC (Medical Research Council) format files used in cryo-electron microscopy and structural biology.

Note: This crate is under active development. While most features are functional, occasional API changes are possible. Contributions welcome — please report issues and share your ideas!

Installation

[dependencies]
mrc = "0.2"

Quick Start

use mrc::{open, create, VoxelBlock};

// Read (auto-detects gzip/bzip2)
let reader = open("protein.mrc")?;
for slice in reader.slices_f32() {
    let block = slice?;  // Vec<f32>
}

// Write
let mut writer = create("output.mrc")
    .shape([512, 512, 256])
    .mode::<f32>()
    .finish()?;
writer.write_block(&VoxelBlock::new(
    [0, 0, 0], [512, 512, 1], vec![0.0f32; 512 * 512],
)?)?;
writer.finalize()?;

Full Documentation

See docs.rs/mrc for the complete API reference, including:

  • Reading files — Reader, MmapReader, compressed I/O, permissive mode
  • Writing files — Writer, MmapWriter, GzipWriter, Bzip2Writer
  • Iterators — slices, slabs, tiles, volumes, auto-conversion to f32
  • Full-volume reads — read_volume::<T>() and read_volume_f32()
  • Data modes — Mode enum and compile-time Voxel trait
  • Headers — Header, HeaderBuilder, validation, endianness
  • FEI extended headers — typed Fei1Metadata / Fei2Metadata parsing
  • Error handling — Error and HeaderValidationError
  • Validation — validate_full / validate_reader / ValidationReport

CLI Tools

Binary Description
mrc-validate Comprehensive file validation (header, stats, NaN/Inf scan)
mrc-header Human-readable header inspection with semantic interpretation
mrc-invert Contrast inversion (v → −v) with updated header statistics 
cargo build --release --bin mrc-validate
./mrc-validate protein.mrc

Migrating from v0.1

v0.1 v0.2
MrcView::new(data) Reader::open(path) / open(path)
MrcFile::create(path, header) create(path).shape(dims).mode::<T>().finish()
MrcView::view::<f32>() reader.slices::<f32>()
MrcViewMut Writer + VoxelBlock<T>
MrcMmap MmapReader / MmapWriter

v0.2 adds SIMD acceleration, parallel encoding, type conversion iterators, compression support, unified reader API, and FEI extended header parsing.

Roadmap

v0.2.x — Core + SIMD + FEI (current)

  • Complete MRC-2014 format support
  • Iterator-centric API (slices, slabs, tiles)
  • Type-safe I/O with compile-time mode checking
  • SIMD acceleration (AVX2, NEON)
  • Memory-mapped I/O and parallel encoding
  • All data types (modes 0–4, 6, 12, 101)
  • Compression support (gzip, bzip2)
  • FEI1/FEI2 extended header parsing
  • Header statistics computation and validation
  • Permissive mode and volume stack support

v0.3.x — Extended Features

  • Extended header parsing for CCP4, MRCO, SERI, AGAR formats
  • Streaming decompression
  • Dedicated benchmark suite

License

MIT — see LICENSE.

Acknowledgments

  • CCP-EM for the MRC-2014 specification
  • EMDB for providing real-world test data
  • Cryo-EM community for invaluable feedback