AgentSkillsCN

protparam

计算蛋白质参数（分子量、等电点、消光系数），并生成纯化建议。适用于用户咨询蛋白质特性、分子量、等电点、消光系数，或纯化策略时使用。

SKILL.md
--- frontmatter
name: protparam
description: Calculate protein parameters (MW, pI, extinction coefficient) and generate purification recommendations. Use when the user asks about protein properties, molecular weight, isoelectric point, extinction coefficients, or purification strategies.
allowed-tools: Bash(protparam_cli:*), Bash(Protparam:*), Bash(python:*)

Protein Parameters Calculator

Calculate protein biophysical parameters and generate purification recommendations.

CLI Usage

Use the CLI at scripts/protparam_cli.py:

Basic Usage

bash
scripts/protparam_cli.py --sequence MKTAYIAKQRQISFVKSH...

With Purification Recommendations

bash
scripts/protparam_cli.py --sequence MKTAYIAKQRQISFVKSH... --purification

JSON Output

bash
scripts/protparam_cli.py --sequence MKTAYIAKQRQISFVKSH... --json

Options

  • •--sequence, -s: Amino acid sequence in single letter code (required)
  • •--purification, -p: Include purification recommendations
  • •--json: Output results as JSON

Parameters Calculated

  1. •

    Basic Properties

    • •Sequence length (amino acids)
    • •Molecular weight (Da)
    • •Theoretical isoelectric point (pI)
  2. •

    Spectroscopic Properties

    • •Molar extinction coefficient at 280nm (M-1cm-1)
    • •Absorbance 0.1% (1 g/L)
  3. •

    Tag Detection

    • •His6 tag
    • •MBP (Maltose Binding Protein)
    • •GST (Glutathione S-Transferase)
    • •SUMO tag
  4. •

    Cleavage Site Detection

    • •TEV protease (ENLYFQ/S)
    • •3C/PreScission protease (LEVLFQ/GP)
    • •Thrombin (LVPR/GS)
    • •SUMO protease (Ulp1)

Purification Recommendations

When --purification is enabled, provides recommendations for:

  • •Affinity chromatography column (HisTrap, Amylose, GSTrap)
  • •Tag cleavage strategy
  • •Ion exchange column (Q or S based on pI)
  • •Concentrator MWCO
  • •Size exclusion column (S75, S200, Superose 6)