[gmx-users] Converting 2-d molecule to 3-D

2008-10-10 Thread vivek sharma
Hi there, Is there any open source package to convert 2-D structure of a molecule to 3-D structure ? If anybody have tried such thing, please suggest me te way to do the same. I am having openbabel on my system, does openbabel i shaving such functionality ? please suggest ? With thanks,

Re: [gmx-users] Converting 2-d molecule to 3-D

2008-10-10 Thread andrea spitaleri
Hi there, have look to corina software. I dont think it is free. http://cheminf.cmbi.ru.nl/cheminf/corina/ and vivek sharma wrote: Hi there, Is there any open source package to convert 2-D structure of a molecule to 3-D structure ? If anybody have tried such thing, please suggest me te way

Re: [gmx-users] Converting 2-d molecule to 3-D

2008-10-10 Thread Justin A. Lemkul
Use the PRODRG server; it is free: http://davapc1.bioch.dundee.ac.uk/cgi-bin/prodrg_beta -Justin andrea spitaleri wrote: Hi there, have look to corina software. I dont think it is free. http://cheminf.cmbi.ru.nl/cheminf/corina/ and vivek sharma wrote: Hi there, Is there any open source

Re: [gmx-users] Converting 2-d molecule to 3-D

2008-10-10 Thread Florian Haberl
Hi, On Friday, 10. October 2008, andrea spitaleri wrote: Hi there, have look to corina software. I dont think it is free. http://cheminf.cmbi.ru.nl/cheminf/corina/ corina is a commerical product see http://www.molecular-networks.com/software/corina/ You can try cdk it should convert 2d to