Dear All,
I am trying to change bonds to double bonds within xleap. My molecule is
only a small ligand, methotrexate, and hence there are no residues.
Therefore, to change the bond order i entered
bond mtx.O mtx.C [=]
The error message i get is
bond:argument 1 is type string must be of type:[atom]
I had previously set the hybridisation of the O and C to sp2.
Obviously, I am not defining the variable of the atom correctly. How is
this done?
Any advice gratefully received.
With Regards, Eoin Galligan
tel: 0115 9515151 ext 66272
mobile: 07968 349629
mobile email: eoingalligan_at_sms.genie.co.uk
Laboratory of Biophysics and Surface Analysis,
Institute of Pharmaceutical Sciences,
Nottingham University,
University Park,
Nottingham,
NG7 2RD,
UK
Received on Thu Jun 15 2000 - 06:32:28 PDT
