Hi,
>> On Tue, Feb 02, 2010, Siddharth Rastogi wrote:
>> But when I tried with the Chain B residues, the tleap complains like
>> follows:
>>
>>> bond NF.3.SG NF.51.SG
>> bond: Argument #1 is type String must be of type: [atom]
>> usage: bond <atom1> <atom2> [order]
a very simple way to overcome that problem is running leap twice:
1, generate a structure without any disulfide bonds, but with unique
residue numbers
2, change CYS to CYX and add the disulfide bond commands using the new
residue numbering
All the best,
Anselm
Bioinformatik
Institut für Biochemie
Emil-Fischer-Zentrum
Friedrich-Alexander-Universität Erlangen-Nürnberg
Germany
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Received on Wed Feb 03 2010 - 01:30:05 PST
