34 lines
705 B
Bash
Executable File
34 lines
705 B
Bash
Executable File
#!/bin/bash
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# 检查输入参数数量
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if [ "$#" -ne 2 ]; then
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echo "Usage: $0 input.xvg output.svg"
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exit 1
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fi
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# 获取输入和输出文件名
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input_file=$1
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output_file=$2
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# 检查输入文件是否存在
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if [ ! -f "$input_file" ]; then
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echo "Error: Input file '$input_file' not found!"
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exit 1
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fi
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# 使用 Gnuplot 生成输出文件
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gnuplot << EOF
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set terminal svg size 800,600
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set output '${output_file}'
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# 设置标题和轴标签
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set title 'RMSD Analysis'
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set xlabel 'Time (ns)'
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set ylabel 'RMSD (nm)'
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# 读取数据文件并绘制，使用第1列和第2列，忽略注释行
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plot '${input_file}' using 1:2 with lines title 'RMSD (nm)'
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EOF
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echo "Plot generated: ${output_file}"
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