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Thanks Greg,
But Using your SMILES string also it did not work. Do you think the problem is because I am using Mac and the COOT in Mac does not have pyrogen.
I tried to build the molecule in a PC and transfer the pdb into mac and tried to build the restraints using CCP4 mac ProDrg. But some how COOT could not import the .cif file. When I opened the PDB in MAC coot and tried to refine the molecule (place it into the density) it gave an error that the restarinst of the atoms are not found, but I could see the .cif file.
I edited the molecule  3 letter code  in PDB to FLP (to call it fluoropropyl) will that have an issue?
Also once one molecule is placed in the density (assuming the first problem is over) do I have to copy the restraints of the molecule into the same file containing the restraints of the protein molecule?

Thanks,
Ivan

On Mon, Jul 13, 2015 at 7:03 AM, Greg Warren <[log in to unmask]> wrote:

Is it possible that your SMILES is incorrect?  If I use

 

CC(C(=O)C)F

 

Coot seems to work fine.

 

Regards,

Greg

 

From: CCP4 bulletin board [mailto:[log in to unmask]] On Behalf Of xaravich ivan
Sent: Friday, July 10, 2015 6:03 PM
To: [log in to unmask]
Subject: [ccp4bb] Coot Smiles would not build

 

Hi everyone

I am using SMILES to build this Fluopropyl group and SMILES would always give me this error, after I put the correct string.

The image and string I built and the error image is attached.

 

Am I missing something?

 

Thanks,

ivan