Dear all, what is the way to add pseubond between metal and chelating atoms? if you could tell me what are the "mouse driven" and "script driven" manner I'll be very pleased.... all the best, JD Dr. Jean-Didier Maréchal Lecturer Computational Biotechnological Chemistry @ Transmet Unitat de Química Física Departament de Química Universitat Autònoma de Barcelona Edifici C.n. 08193 Cerdanyola (Barcelona) Tel: +34.935814936 e-mail: JeanDidier.Marechal@uab.es ----- Missatge original ----- De: chimera-users-request@cgl.ucsf.edu Data: Diumenge, Maig 10, 2009 9:00 pm Assumpte: Chimera-users Digest, Vol 73, Issue 11
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Today's Topics:
1. Protonate heteroatoms only (Francesco Pietra) 2. Re: Protonate heteroatoms only (Eric Pettersen)
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Message: 1 Date: Sat, 9 May 2009 23:35:37 +0200 From: Francesco Pietra <chiendarret@gmail.com> Subject: [Chimera-users] Protonate heteroatoms only To: chimera <chimera-users@cgl.ucsf.edu> Message-ID: <b87c422a0905091435q4a1671e2td61284cf092e7fb6@mail.gmail.com> Content-Type: text/plain; charset=UTF-8
Hi: Is there a command in Chimera to protonate (Sybyl-type) the heteroatoms only (or deprotonate the other elements from a fully protonated protein)? thanks francesco pietra
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Message: 2 Date: Sat, 9 May 2009 15:27:55 -0700 From: Eric Pettersen <pett@cgl.ucsf.edu> Subject: Re: [Chimera-users] Protonate heteroatoms only To: Francesco Pietra <chiendarret@gmail.com> Cc: chimera <chimera-users@cgl.ucsf.edu> Message-ID: <67264749-1F9E-4B02-9B42-FF0A1DD99C30@cgl.ucsf.edu> Content-Type: text/plain; charset=US-ASCII; format=flowed
del HC
will delete all hydrogens bonded to carbons (their IDATM types are HC). --Eric
Eric Pettersen USCF Computer Graphics Lab
On May 9, 2009, at 2:35 PM, Francesco Pietra wrote:
Hi: Is there a command in Chimera to protonate (Sybyl-type) the heteroatoms only (or deprotonate the other elements from a fully protonated protein)? thanks francesco pietra _______________________________________________ Chimera-users mailing list Chimera-users@cgl.ucsf.edu http://www.cgl.ucsf.edu/mailman/listinfo/chimera-users
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End of Chimera-users Digest, Vol 73, Issue 11 *********************************************