plot svg

script/S112D/plot_gyration.sh

@@ -0,0 +1,22 @@
+#!/bin/bash
+
+# 执行回旋半径分析
+gmx_mpi gyrate -s ${MDRUN_NAME}.tpr -n index.ndx -f ${MDRUN_NAME}_center.xtc -o gyration_protein.xvg << EOF
+1  # 选择 Protein 进行回旋半径分析
+EOF
+
+# 使用 Gnuplot 生成回旋半径分析图像
+gnuplot << EOF
+set terminal svg size 800,600
+set output 'gyration_protein.svg'
+
+# 设置标题和轴标签
+set title 'Radius of Gyration Analysis'
+set xlabel 'Time (ns)'
+set ylabel 'Radius of Gyration (nm)'
+
+# 读取数据文件并绘制
+plot 'gyration_protein.xvg' using 1:2 with lines title 'Rg (nm)'
+EOF
+
+echo "Gyration plot generated: gyration_protein.svg"