Re: [PyMOL] how can quickly make a fractional atoms into one

2011-10-11 Thread Edward A. Berry
Well, for me at least it is a good think Lina asked, because there were two different answers from the experts and i learned from each. I don't think we want to discourage or intimidate new users from asking questions. It is very easy to ignore or delete a silly email. Marius Retegan wrote: > Dear

Re: [PyMOL] how can quickly make a fractional atoms into one

2011-10-11 Thread lina
On Tue, Oct 11, 2011 at 8:13 PM, Francis E Reyes wrote: > The column editing mode of vim will do this in a jiffy. > > Ctrl-V, select the column(s), hit D. > Thanks, very nice. I did not realize that the vim can choose block. > > F > > On Oct 11, 2011, at 1:59 AM, lina wrote: > > > Hi, > > > > I

Re: [PyMOL] how can quickly make a fractional atoms into one

2011-10-11 Thread Francis E Reyes
Oops , c then type new text then esc-esc. Haven't had my coffee yet. F On Oct 11, 2011, at 6:13 AM, Francis E Reyes wrote: > The column editing mode of vim will do this in a jiffy. > > Ctrl-V, select the column(s), hit D. > > F > > On Oct 11, 2011, at 1:59 AM, lina wrote: > >> Hi, >>

Re: [PyMOL] how can quickly make a fractional atoms into one

2011-10-11 Thread Francis E Reyes
The column editing mode of vim will do this in a jiffy. Ctrl-V, select the column(s), hit D. F On Oct 11, 2011, at 1:59 AM, lina wrote: > Hi, > > I wish to change > > ATOM822 H01 PDB 1 32.103 36.531 -0.203 -0.11 0.02 .296 > H > ATOM823 C12 PDB 1 34.14

Re: [PyMOL] how can quickly make a fractional atoms into one

2011-10-11 Thread lina
On Tue, Oct 11, 2011 at 4:41 PM, Marius Retegan wrote: > Dear Lina, > > I don't want to be rude, but you should read this part of a document > on how to ask questions on a mailing list > http://catb.org/~esr/faqs/smart-questions.html#before. > Some of the question that you posted on this mailing l

Re: [PyMOL] how can quickly make a fractional atoms into one

2011-10-11 Thread Marius Retegan
Dear Lina, I don't want to be rude, but you should read this part of a document on how to ask questions on a mailing list http://catb.org/~esr/faqs/smart-questions.html#before. Some of the question that you posted on this mailing list could have been solved by a simple Google search. Best regards

Re: [PyMOL] how can quickly make a fractional atoms into one

2011-10-11 Thread Tsjerk Wassenaar
Hi Lina, That's best done following Thomas' approach, but using chain="X" in stead of segi='' set pdb_retain_ids load input.pdb alter selection, chain='X' save output.pdb Cheers, Tsjerk On Tue, Oct 11, 2011 at 10:33 AM, lina wrote: > > > On Tue, Oct 11, 2011 at 4:24 PM, Thomas Holder > wrote

Re: [PyMOL] how can quickly make a fractional atoms into one

2011-10-11 Thread lina
On Tue, Oct 11, 2011 at 4:24 PM, Thomas Holder < spel...@users.sourceforge.net> wrote: > On 10/11/2011 10:16 AM, Tsjerk Wassenaar wrote: > >> Not really a Pymol question, is it? >> > > well, it's the segment identifier column, so you can do with PyMOL: > > set pdb_retain_ids > load input.pdb > alt

Re: [PyMOL] how can quickly make a fractional atoms into one

2011-10-11 Thread Thomas Holder
On 10/11/2011 10:16 AM, Tsjerk Wassenaar wrote: > Not really a Pymol question, is it? well, it's the segment identifier column, so you can do with PyMOL: set pdb_retain_ids load input.pdb alter all, segi='' save output.pdb Cheers, Thomas > On linux you can use sed: > > sed '/^\(ATOM\|HETA\)/

Re: [PyMOL] how can quickly make a fractional atoms into one

2011-10-11 Thread Tsjerk Wassenaar
Hi Lina, Not really a Pymol question, is it? On linux you can use sed: sed '/^\(ATOM\|HETA\)/s/^\(.\{72\}\)/\1/' filein.pdb > fileout.pdb That means: /^\(ATOM\|HETA\)/ :: Match lines starting with ATOM or with HETA, and on those lines execute: s/^\(.\{72\}\)/\1/ :: Subsitute the

[PyMOL] how can quickly make a fractional atoms into one

2011-10-11 Thread lina
Hi, I wish to change ATOM822 H01 PDB 1 32.103 36.531 -0.203 -0.11 0.02 .296 H ATOM823 C12 PDB 1 34.140 35.147 -0.218 -0.18 -0.01 .122 C to: ATOM822 H01 PDB 1 32.103 36.531 -0.203 -0.11 0.02 H ATOM823 C12 PDB 1