[ccp4bb] AW: [ccp4bb] Making bonds

2022-08-09 Thread Schreuder, Herman /DE
Dear Cryo EM,

In general, if you bring the two atoms at approximatively the correct distance 
and do a real space refinement or regularization, a bond should be generated.
However, there are caveats:

  1.  Do the nucleotides belong to the same chain? If they belong to different 
chains, they will not get bonded.
  2.  Do the atoms have the correct names for standard nucleotides?
  3.  An erroneous TER card between the nucleotides may also behind your 
problem.

Best,
Herman

Von: CCP4 bulletin board  Im Auftrag von Cryo EM
Gesendet: Dienstag, 9. August 2022 03:41
An: CCP4BB@JISCMAIL.AC.UK
Betreff: [ccp4bb] Making bonds

Hi everyone,

In one my PDBs, I see that there is a linkage break in ribonucleotides. 
Specifically one of the phospodiester bond seems to be broken and thus O3' 
needs to be bonded to P atom of next nucleotide. What is the easiest way to do 
this in coot ? Or any other software?
I tried "make link" option in coot but it seems it just created link in PDB and 
not bond?


Regards




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[ccp4bb] Making bonds

2022-08-08 Thread Cryo EM
Hi everyone,

In one my PDBs, I see that there is a linkage break in ribonucleotides.
Specifically one of the phospodiester bond seems to be broken and thus O3'
needs to be bonded to P atom of next nucleotide. What is the easiest way to
do this in coot ? Or any other software?
I tried "make link" option in coot but it seems it just created link in PDB
and not bond?


Regards



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