代码如下:
#x轴grep ^ATOM $1 | awk ‘{print $7}’| sort -n |sed -n ‘1p;$p’#y轴grep ^ATOM $1 | awk ‘{print $8}’| sort -n |sed -n ‘1p;$p’#z轴grep ^ATOM $1 | awk ‘{print $9}’| sort -n |sed -n ‘1p;$p’
代码如下:
#-*-coding:utf-8-*-x=[]y=[]z=[]for i in open('file.pdb','r'):if i.startswith('ATOM'):new=i.split()x.append(float(new[6]))y.append(float(new[7]))z.append(float(new[8]))else:passprint('长:'+str(max(x)-min(x)))print('宽:'+str(max(y)-min(y)))print('高:'+str(max(z)-min(z)))