gromacs 中关于二级结构分析

我们可以利用DSSP实现二级结构分析。
首先下载DSSP，然后复制到/usr/local/bin中，在环境变量中添加DSSP，

gmx do_dssp -f md_center.xtc -s md.tpr -o dssp.xpm -tu ns 

然后再利用xpm2ps将xpm转换为eps

gmx xpm2ps -f dssp.xpm -o secondary-structure.eps 
-title none -di 1.m2p -rainbow red

这里的1.m2p 文件就是把作图的一些参数写进去，这里自己用的参数像下面这样：
参考
参数描述

; Command line options of xpm2ps override the parameters in this file
black&white = no ; Obsolete
titlefont = Times-Roman ; A PostScript Font
titlefontsize = 20 ; Font size (pt)
legend = yes ; Show the legend
legendfont = Times-Roman ; A PostScript Font
legendlabel = ; Used when there is none in the .xpm
legend2label = ; Used when merging two xpm’s
legendfontsize = 14 ; Font size (pt)
xbox = 2.0 ; x-size of a matrix element
ybox = 2.0 ; y-size of a matrix element
matrixspacing = 20.0 ; Space between 2 matrices
xoffset = 0.0 ; Between matrix and bounding box
yoffset = 0.0 ; Between matrix and bounding box
x-major = 20 ; Major ticks on x axis every … frames
x-minor = 5 ; Id. Minor ticks
x-firstmajor = 0 ; First frame for major tick
x-majorat0 = no ; Major tick at first frame
x-majorticklen = 8.0 ; x-majorticklength
x-minorticklen = 4.0 ; x-minorticklength
x-label = ; Used when there is none in the .xpm
x-fontsize = 16 ; Font size (pt)
x-font = Times-Roman ; A PostScript Font
x-tickfontsize = 10 ; Font size (pt)
x-tickfont = Helvetica ; A PostScript Font
y-major = 20
y-minor = 5
y-firstmajor = 0
y-majorat0 = no
y-majorticklen = 8.0
y-minorticklen = 4.0
y-label =
y-fontsize = 16
y-font = Times-Roman
y-tickfontsize = 10
y-tickfont = Helvetica

自己修改了x-major x-minor y-major y-minor