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ÎÒÓÃmodeller½¨ÁËÁ½Ìõµ°°×Á´£¬µ«ÊÇÏÖÔÚÓöµ½ÁËÎÊÌ⣬¾ÍÊÇÒªÔõô°ÑÁ½ÌõÁ´Æ´ÔÚÒ»ÆðÐγÉÒìÔ´¶þ¾ÛÌåÄØ£¿ÔÚmodeller½Å±¾Óп´µ½ from modeller import * from modeller.automodel import * # Load the automodel class log.verbose() class MyModel(automodel): def special_patches(self, aln): # Rename both chains and renumber the residues in each self.rename_segments(segment_ids=['X', 'Y'], renumber_residues=[1, 1]) # Another way to label individual chains: self.chains[0].name = 'X' self.chains[1].name = 'Y' def special_restraints(self, aln): rsr = self.restraints at = self.atoms # Restrain the specified CB-CB distance to 8 angstroms (st. dev.=0.1) # Use a harmonic potential and X-Y distance group. # Note that because special_patches is called before special_restraints, # we must use the relabeled chain IDs and residue numbers here. rsr.add(forms.gaussian(group=physical.xy_distance, feature=features.distance(at[CB:40:Y], at['CB:71:Y']), mean=8.0, stdev=0.1)) Õâ¸ö½Å±¾ÖÐÖ¸Ã÷ÊÇYÁ´µÄÁ½¸ö¦Â̼Ô×Ó£¬ÄÇÁ½ÌõÁ´Ö®¼äµÄ¾àÀ뻹ÊÇûÓÐ˵Ã÷£¬Êǰɣ¿Çó¸÷λ´óÉñÖ¸µãÃÔ½ò°¡ |
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stray_16
гæ (СÓÐÃûÆø)
- Ó¦Öú: 2 (Ó×¶ùÔ°)
- ½ð±Ò: 103.2
- ºì»¨: 1
- Ìû×Ó: 120
- ÔÚÏß: 40.2Сʱ
- ³æºÅ: 5559546
- ×¢²á: 2017-02-10
- ÐÔ±ð: GG
- רҵ: Ò©ÎïÉè¼ÆÓëÒ©ÎïÐÅÏ¢
2Â¥2017-04-27 14:01:29
stray_16
гæ (СÓÐÃûÆø)
- Ó¦Öú: 2 (Ó×¶ùÔ°)
- ½ð±Ò: 103.2
- ºì»¨: 1
- Ìû×Ó: 120
- ÔÚÏß: 40.2Сʱ
- ³æºÅ: 5559546
- ×¢²á: 2017-02-10
- ÐÔ±ð: GG
- רҵ: Ò©ÎïÉè¼ÆÓëÒ©ÎïÐÅÏ¢
3Â¥2017-04-27 14:02:08













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