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Table 2 The available features of several stand-alone programs for converting molecular representations into 3D models

From: Gypsum-DL: an open-source program for preparing small-molecule libraries for structure-based virtual screening

Program Ionize Tautomers Chiral cis/trans Rings Optimize Free Open Source Web
Gypsum-DL  
OpenEye    
LigPrep    
Frog2     
Balloon      
  1. OpenEye’s OMEGA/QUACPAC and Schrödinger’s LigPrep are commercial programs mentioned in the Introduction. Frog2 and Balloon are freely available