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better precision
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@ -785,7 +785,7 @@ def main():
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g = open('tmp.xyz','w')
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g.write('%i \n \n'%len(frag))
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for j in frag:
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g.write('%s % 6.2f % 6.2f % 6.2f \n'%(j[3],j[0],j[1],j[2]))
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g.write('%s % 6.5f % 6.5f % 6.5f \n'%(j[3],j[0],j[1],j[2]))
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g.close()
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os.system('avogadro tmp.xyz')
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os.system('rm tmp.xyz')
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