can get 3D mol file from chemspider, too. And convert to pdb with one of many display progs. But whether it is exactly the same as what is in the pdf file is an exercise for the user ;-) J ________________________________________ From: CCP4 bulletin board [ccp...@jiscmail.ac.uk] On Behalf Of Paul Emsley [paul.ems...@bioch.ox.ac.uk] Sent: 13 September 2010 14:50 To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] polymyxin B
On 13/09/10 14:30, Oganesyan, Vaheh wrote: > > I have coordinates of “small” molecule in pdf format, i.e. its an > image of pdb file and it doesn’t let me select text. The molecule has > >150 atoms, so doing it by hand is not an option. How would one go > around it? > > The molecule is polymyxin B and doesn’t exist in databases like CSD, > Hic-up or PDB. If some of you happen to have it please share. > If you don't need the same conformation, how about downloading the 2D mol file from chemspider? Prodrg can convert that to 3D in a trice. Paul. This communication is from Cancer Research UK. Our website is at www.cancerresearchuk.org. We are a registered charity in England and Wales (1089464) and in Scotland (SC041666) and a company limited by guarantee registered in England and Wales under number 4325234. Our registered address is 61 Lincoln's Inn Fields, London WC2A 3PX. Our central telephone number is 020 7242 0200. >From 1 October 2010 our registered address will be Angel Building, 407 St John >Street, London, EC1V 4AD. This communication and any attachments contain information which is confidential and may also be privileged. It is for the exclusive use of the intended recipient(s). If you are not the intended recipient(s) please note that any form of disclosure, distribution, copying or use of this communication or the information in it or in any attachments is strictly prohibited and may be unlawful. If you have received this communication in error, please notify the sender and delete the email and destroy any copies of it. E-mail communications cannot be guaranteed to be secure or error free, as information could be intercepted, corrupted, amended, lost, destroyed, arrive late or incomplete, or contain viruses. We do not accept liability for any such matters or their consequences. Anyone who communicates with us by e-mail is taken to accept the risks in doing so.
