Transcript of my conversation with Rieko Ishima re n-terminal proline parameters
----- -- Original Message -------- Subject: Re: XPLOR Date: Tue, 2 Jul 2002 17:09:24 -0400 From: Rieko Ishima To: John Kuszewski References: Hi John_san Thank you very much. It worked!! Rieko Hi Ishima-san, I've just updated parallhdg_procheck.pro. It now incorporates the extra parameters Charles sent you, along with the one missing improper you stumbled upon. It'll be in the next release, but I'm attaching it to this email so you can use it right away. Please replace your current parallhdg_procheck.pro with this one, eliminate the extra parameters in your input script, and try running it again. Let me know if it doesn't work! -JK Rieko Ishima wrote: Hi John Thank you for setting up the xplor input file for me. I ran it with and without N-terminal residues and realized that it stacked again when there is a N-terminal proline. In the input file you modified, n-terminal residues were deleted because it is supposed to be mobile (that means, I do not mind to run xplor without the N-terminal proline though ... ). However, when I generated a pdb file, the extra lines in the parameters for N-terminal prolines in the input file was sufficient (I mean, it worked) Does this mean that there are other places required for a special parameter setting for N-terminal proline? I will attach the script and errors (the tail of the log file). Please take look at the files and give me some suggestions or preferably direct assistance. Thank you Rieko ------------------------------------------------------------------------ NOTE3Name: NOTE3 Type: Plain Text (text/plain) sa_dipo.inpName: sa_dipo.inp Type: Plain Text (text/plain) ------------------------------------------------------------------------ ---------------------------<<>-------------------------------- Rieko Ishima, Ph.D. Bldg 30, Rm 109, NIH, NIDCR, 30 Convent Dr., Bethesda, MD 20892-4307, USA e-mail: [email protected] tel: 301-402-3160 (or 301-402-3149) fax: 301-402-5321 (or 301-480-0240) -- Dr John Kuszewski 301-594-5831 (voice) 301-402-2867 (fax) [email protected] -------------- next part -------------- An HTML attachment was scrubbed... URL: http://dcb.cit.nih.gov/pipermail/xplor-nih/attachments/20020703/76b75195/attachment.htm
