[several hours go by installing leap on osx :-) This may help:
> m = sequence { DG DG }
> desc m
UNIT name: DG
Head atom: .R<DG 1>.A<P 1>
Tail atom: .R<DG 2>.A<O3' 33>
Contents:
R<DG 1>
R<DG 2>
Note: "UNIT name: DG" seems to be an unfortunate default that I may have
chosen. The problem probably being that the 'sequence' cmd has no better
name to give the UNIT, and it doesn't matter except that it is
confusing. I suspect the same applies to the result of the loadpdb cmd.
So if I want to describe the actual 2nd DG residue:
> desc m.2
RESIDUE name: DG
RESIDUE sequence number: 2
RESIDUE PDB sequence number: 2
Type: nucleic
Connection atoms:
Connect atom 0: A<P 1>
Connect atom 1: A<O3' 33>
Improper torsions:
Contents:
A<O3' 33>
A<H2'' 32>
...
Bill
On 3/24/16 9:05 AM, amirhossein taghavi wrote:
> Hello,
> May I ask why 'desc' command in leap can not provide information about different residues of a molecule. I was trying to use 'bond' command in a DNA structure and encountered this.So to say this is the first guanine in the seq:ATOM 29 P DG 2 22.409 31.286 21.483 1.00 0.00
> ATOM 30 OP1 DG 2 23.536 32.157 21.851 1.00 0.00
> .....desc gives information about this one (RESIDUE name: DG
> RESIDUE sequence number: 1
> RESIDUE PDB sequence number: 0.)
>
> but not the next guanine: ATOM 92 P DG 4 24.249 19.412 17.617 1.00 0.00
> ATOM 93 OP1 DG 4 25.420 18.535 17.765 1.00 0.00(desc DG.3
> STRING (with no reference): 'DG.3').
> Thanks in ForwardAmir
>
>
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Received on Thu Mar 24 2016 - 18:00:04 PDT
