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主要用来进行各种分子文件的转换，支持30种主要分子格式，也可以用来进行3维分子的简单显示。 |
• Calculation of basic geometrical data: distances, angles, dihedral angles;
• Calculation of atom pyramidalities, angle of rings, distances from least square planes, ring puckerings;
• Changing of bond types, atom types;
• Add or delete hydrogens, structural waters;
• Add hydrogens in pH dependent mode;
• Slicing of biopolymers or multiple files to individual molecules;
• Batch or many-to-many conversion;
• Merging of individual simple files to multiple ones;
• Browsing multiple files;
• Conversion of multiple structural files;
• Conversion of proteins to "backbone molecules", Ramachandran plot;
• Checking of peptide backbone geometry, adding CH3, CH2 centroid pseudo atoms;
• Manual editing of problematic files... and many others.
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操作平台： Windows |
产品供应商网站：http://web.interware.hu/frenzy/mol2mol/index.html
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