Thanx alot for the detailed explanation. Actually I have found the similar
problem with the Benzene molecule also, but it was only LIG1, so I was able
to rectify the problem, but in this case I dont know what to do.
Thanx again for your time...
Prasun
PRASUN (ASHOKA)
Desire + stability = Reso
Hi,
I don't know why, but LIG1 (tetrabromocycle), LIG2 (CBr4) and LIG3
(nitrogens cycle) are present 2 times (coordinates of .cif) in a.pdb, minus
the carbon of LIG2 (Open Babel 2.3.1).
And 2225 - (53-1) = 2173
and 2173 is a multiple of 53 (*41).
Well, that's from a visual point of view, but it'
Thanx alot for reminding me. I am very sorry.
I am using the command:
babel -i cif PIZFAF.cif -o pdb a.pdb --fillUC keepconnect
OpenBabel version is 2.2.3 (The latest version is not giving the proper
results according to me and hence I am sticking to the older one).
Once again thanx alot
PRASUN
I am using the --fillUC option with keepconnect for generating the symmetry
mates. As per my understanding goes, by using this option, we should get
full molecule.
for example if the benzene molecule is having 12 atoms, so after generating
the file using --fillUC option the number of atoms in the f
