VMD-L Mailing List

From: Kevin C Chan (cchan2242-c_at_my.cityu.edu.hk)
Date: Sun Aug 17 2014 - 23:16:09 CDT

Thank you for your answer. I have found similar solution by deleting all
the negative resid in the pdb. Atomselect only accepts negative numbers
only when they are included in a " " (corrected me if this is not the
case).

Btw they appear for, trusted to be, some experimental reasons and should
not belong to the protein.

On Mon, Aug 18, 2014 at 10:50 AM, Tristan Croll <tristan.croll_at_qut.edu.au>
wrote:

> Sorry – forgot to cc this to the list.
>
>
>
> *From:* Tristan Croll
> *Sent:* Monday, 18 August 2014 8:56 AM
> *To:* 'Kevin C Chan'
> *Subject:* RE: vmd-l: Ssrestraints error
>
>
>
> That’s not an ssrestraints error, it’s an atomselect error. I just
> double-checked, and atomselect doesn’t know how to handle that -1 in your
> resid list (where did that come from, anyway?)
>
>
>
> *From:* owner-vmd-l_at_ks.uiuc.edu [mailto:owner-vmd-l_at_ks.uiuc.edu] *On
> Behalf Of *Kevin C Chan
> *Sent:* Thursday, 14 August 2014 9:21 PM
> *To:* vmd-l_at_ks.uiuc.edu
> *Subject:* vmd-l: Ssrestraints error
>
>
>
> Dear All,
>
>
>
> I have encountered error message when running ssrestraints -
>
>
>
> ERROR) syntax error
>
> ERROR) Macro 'none or (segname P1 and resid -1 0 1 145 146 147 148 2 278
> 279 280 281 292 293 3 300 301 302 303 310 311 312 313 314 320 321 322 323
> 325 326 327 334 335 336 4 5) or (segname P2 and resid 145 146 147 148 2 263
> 264 277 278 279 280 292 293 3 300 301 302 303 310 311 312 313 314 315 320
> 321 322 323 333 334 335 336 358 359 360 4 5) or (segname P3 and resid -1 0
> 1 145 146 147 148 2 278 279 280 281 292 293 3 300 301 302 303 310 311 312
> 313 314 320 321 322 323 325 326 327 334 335 336 4 5) or (segname P4 and
> resid 145 146 147 148 2 263 264 277 278 279 280 292 293 3 300 301 302 303
> 310 311 312 313 314 315 320 321 322 323 333 334 335 336 358 359 360 4 5)'
> cannot be parsed.
>
> Unable to create macro for 'ssT'
>
>
>
> I have found similar question on the forum (
> http://www.ks.uiuc.edu/Research/vmd/mailing_list/vmd-l/21291.html) which
> is in exactly the same situation as mine but none was answering.
>
>
>
> Thanks so much for any answer.
>
>
>
> Kevin
>